(5-fluoro-1-methylindol-2-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

C27H24ClFN4O3S — CID 68634578

IUPAC(5-fluoro-1-methylindol-2-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
SMILESCc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)Oc2cc3cc(F)ccc3n2C)c(-c2cccc(Cl)c2)s1
InChIInChI=1S/C27H24ClFN4O3S/c1-14-31-24(25(37-14)15-4-3-5-18(28)8-15)26(34)33-13-17-10-20(17)22(33)12-30-27(35)36-23-11-16-9-19(29)6-7-21(16)32(23)2/h3-9,11,17,20,22H,10,12-13H2,1-2H3,(H,30,35)/t17-,20-,22+/m0/s1
InChIKeyIBABNGJQRLKVOI-RBDMOPTHSA-N
MW539.03 g/mol
LogP5.65
Rot. Bonds5

About (5-fluoro-1-methylindol-2-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

(5-fluoro-1-methylindol-2-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 (PubChem CID 68634578) has the molecular formula C27H24ClFN4O3S and a molecular weight of 539.03 g/mol. Its IUPAC name is (5-fluoro-1-methylindol-2-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.

Molecular Properties

Compound Name(5-fluoro-1-methylindol-2-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
PubChem CID68634578
Molecular FormulaC27H24ClFN4O3S
Molecular Weight539.03 g/mol
Exact Mass538.12
IUPAC Name(5-fluoro-1-methylindol-2-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
SMILESCc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)Oc2cc3cc(F)ccc3n2C)c(-c2cccc(Cl)c2)s1
InChIInChI=1S/C27H24ClFN4O3S/c1-14-31-24(25(37-14)15-4-3-5-18(28)8-15)26(34)33-13-17-10-20(17)22(33)12-30-27(35)36-23-11-16-9-19(29)6-7-21(16)32(23)2/h3-9,11,17,20,22H,10,12-13H2,1-2H3,(H,30,35)/t17-,20-,22+/m0/s1
InChIKeyIBABNGJQRLKVOI-RBDMOPTHSA-N
XLogP5.65
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.03
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-fluoro-1-methylindol-2-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-methylindol-2-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?
The IUPAC name of (5-fluoro-1-methylindol-2-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 68634578) is (5-fluoro-1-methylindol-2-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.
What is the SMILES notation for (5-fluoro-1-methylindol-2-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?
The canonical SMILES for (5-fluoro-1-methylindol-2-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 is Cc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)Oc2cc3cc(F)ccc3n2C)c(-c2cccc(Cl)c2)s1.
What is the InChIKey of (5-fluoro-1-methylindol-2-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?
The InChIKey is IBABNGJQRLKVOI-RBDMOPTHSA-N. The full InChI is InChI=1S/C27H24ClFN4O3S/c1-14-31-24(25(37-14)15-4-3-5-18(28)8-15)26(34)33-13-17-10-20(17)22(33)12-30-27(35)36-23-11-16-9-19(29)6-7-21(16)32(23)2/h3-9,11,17,20,22H,10,12-13H2,1-2H3,(H,30,35)/t17-,20-,22+/m0/s1.
What are the key properties of (5-fluoro-1-methylindol-2-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?
(5-fluoro-1-methylindol-2-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 has a molecular weight of 539.03 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-methylindol-2-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 is sourced from PubChem (CID 68634578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).