(6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(1S,2S,5R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate

C24H22FN5O3S2 — CID 68633903

IUPAC(6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(1S,2S,5R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate
SMILESCc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)Oc2c(C)nc3sccn23)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H22FN5O3S2/c1-12-22(29-7-8-34-23(29)27-12)33-24(32)26-10-18-17-9-15(17)11-30(18)21(31)19-20(35-13(2)28-19)14-3-5-16(25)6-4-14/h3-8,15,17-18H,9-11H2,1-2H3,(H,26,32)/t15-,17-,18+/m0/s1
InChIKeyQXARCXBOXRHFTD-RYQLBKOJSA-N
MW511.60 g/mol
LogP4.52
Rot. Bonds5

About (6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(1S,2S,5R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate

(6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(1S,2S,5R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate (PubChem CID 68633903) has the molecular formula C24H22FN5O3S2 and a molecular weight of 511.60 g/mol. Its IUPAC name is (6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(1S,2S,5R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate.

Molecular Properties

Compound Name(6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(1S,2S,5R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate
PubChem CID68633903
Molecular FormulaC24H22FN5O3S2
Molecular Weight511.60 g/mol
Exact Mass511.11
IUPAC Name(6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(1S,2S,5R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate
SMILESCc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)Oc2c(C)nc3sccn23)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C24H22FN5O3S2/c1-12-22(29-7-8-34-23(29)27-12)33-24(32)26-10-18-17-9-15(17)11-30(18)21(31)19-20(35-13(2)28-19)14-3-5-16(25)6-4-14/h3-8,15,17-18H,9-11H2,1-2H3,(H,26,32)/t15-,17-,18+/m0/s1
InChIKeyQXARCXBOXRHFTD-RYQLBKOJSA-N
XLogP4.52
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.60
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(1S,2S,5R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate with MolForge

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Related Compounds

(6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(3S,3aS,6aR)-2-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate
CID 67409570
(6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(3S,3aS,6aR)-2-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate
CID 67409779
(6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(1S,2S,5R)-3-[2-(4-methylphenyl)thiophene-3-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate
CID 68634075
(6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(3S,3aS,6aR)-2-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate
CID 67411767
N-[[(3S,3aS,6aR)-2-[5-(4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25154505
N-[[(1S,2S,5R)-3-[4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 66998605
imidazo[2,1-b][1,3]thiazol-5-yl N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate
CID 68632506
6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(2-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25183281
N-[[(3S,3aS,6aR)-2-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25154461
pyrrolo[2,1-b][1,3]thiazol-7-yl N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate
CID 68633469
N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25073410
[(1R,2S,5S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 24815582

Frequently Asked Questions

What is the IUPAC name of (6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(1S,2S,5R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate?
The IUPAC name of (6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(1S,2S,5R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate (CID 68633903) is (6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(1S,2S,5R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate.
What is the SMILES notation for (6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(1S,2S,5R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate?
The canonical SMILES for (6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(1S,2S,5R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate is Cc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)Oc2c(C)nc3sccn23)c(-c2ccc(F)cc2)s1.
What is the InChIKey of (6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(1S,2S,5R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate?
The InChIKey is QXARCXBOXRHFTD-RYQLBKOJSA-N. The full InChI is InChI=1S/C24H22FN5O3S2/c1-12-22(29-7-8-34-23(29)27-12)33-24(32)26-10-18-17-9-15(17)11-30(18)21(31)19-20(35-13(2)28-19)14-3-5-16(25)6-4-14/h3-8,15,17-18H,9-11H2,1-2H3,(H,26,32)/t15-,17-,18+/m0/s1.
What are the key properties of (6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(1S,2S,5R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate?
(6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(1S,2S,5R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate has a molecular weight of 511.60 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(1S,2S,5R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate is sourced from PubChem (CID 68633903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).