2-chloro-N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1,3-benzothiazole-4-carboxamide

C23H18ClFN4O2S3 — CID 91133140

IUPAC2-chloro-N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1,3-benzothiazole-4-carboxamide
SMILESCc1nc(C(=O)N2CSC[C@H]2CNC(=O)c2cccc3sc(Cl)nc23)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C23H18ClFN4O2S3/c1-12-27-19(20(33-12)13-5-7-14(25)8-6-13)22(31)29-11-32-10-15(29)9-26-21(30)16-3-2-4-17-18(16)28-23(24)34-17/h2-8,15H,9-11H2,1H3,(H,26,30)/t15-/m1/s1
InChIKeyFHNRAAKGYCJTHX-OAHLLOKOSA-N
MW533.08 g/mol
LogP5.47
Rot. Bonds5

About 2-chloro-N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1,3-benzothiazole-4-carboxamide

2-chloro-N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1,3-benzothiazole-4-carboxamide (PubChem CID 91133140) has the molecular formula C23H18ClFN4O2S3 and a molecular weight of 533.08 g/mol. Its IUPAC name is 2-chloro-N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1,3-benzothiazole-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1,3-benzothiazole-4-carboxamide
PubChem CID91133140
Molecular FormulaC23H18ClFN4O2S3
Molecular Weight533.08 g/mol
Exact Mass532.03
IUPAC Name2-chloro-N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1,3-benzothiazole-4-carboxamide
SMILESCc1nc(C(=O)N2CSC[C@H]2CNC(=O)c2cccc3sc(Cl)nc23)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C23H18ClFN4O2S3/c1-12-27-19(20(33-12)13-5-7-14(25)8-6-13)22(31)29-11-32-10-15(29)9-26-21(30)16-3-2-4-17-18(16)28-23(24)34-17/h2-8,15H,9-11H2,1H3,(H,26,30)/t15-/m1/s1
InChIKeyFHNRAAKGYCJTHX-OAHLLOKOSA-N
XLogP5.47
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.08
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1,3-benzothiazole-4-carboxamide with MolForge

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Related Compounds

N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-2-methyl-1,3-benzoxazole-7-carboxamide
CID 91258637
N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 91282091
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
N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1-methylindazole-3-carboxamide
CID 25071545
N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-2-methyl-6-(trifluoromethyl)-1-benzofuran-4-carboxamide
CID 25073409
N-[[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]morpholin-3-yl]methyl]quinoline-8-carboxamide
CID 10278092
N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperazin-2-yl]methyl]quinoline-8-carboxamide
CID 10163381
N-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 67018139
N-[[(4R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-5-carboxamide
CID 91485936
N-[[3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]quinoxaline-5-carboxamide
CID 45254759
2-chloro-4-fluoro-N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]benzamide
CID 24815097
[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methylcarbamic acid
CID 140553017

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1,3-benzothiazole-4-carboxamide?
The IUPAC name of 2-chloro-N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1,3-benzothiazole-4-carboxamide (CID 91133140) is 2-chloro-N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1,3-benzothiazole-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1,3-benzothiazole-4-carboxamide?
The canonical SMILES for 2-chloro-N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1,3-benzothiazole-4-carboxamide is Cc1nc(C(=O)N2CSC[C@H]2CNC(=O)c2cccc3sc(Cl)nc23)c(-c2ccc(F)cc2)s1.
What is the InChIKey of 2-chloro-N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1,3-benzothiazole-4-carboxamide?
The InChIKey is FHNRAAKGYCJTHX-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H18ClFN4O2S3/c1-12-27-19(20(33-12)13-5-7-14(25)8-6-13)22(31)29-11-32-10-15(29)9-26-21(30)16-3-2-4-17-18(16)28-23(24)34-17/h2-8,15H,9-11H2,1H3,(H,26,30)/t15-/m1/s1.
What are the key properties of 2-chloro-N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1,3-benzothiazole-4-carboxamide?
2-chloro-N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1,3-benzothiazole-4-carboxamide has a molecular weight of 533.08 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(4R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-1,3-benzothiazole-4-carboxamide is sourced from PubChem (CID 91133140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).