N-[[(1S,3S,5S)-2-[2-(3-chlorophenyl)benzoyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C26H23ClN4O2S — CID 67081005

IUPACN-[[(1S,3S,5S)-2-[2-(3-chlorophenyl)benzoyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NC[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)c1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C26H23ClN4O2S/c1-15-23(30-9-10-34-26(30)29-15)24(32)28-14-19-12-17-13-22(17)31(19)25(33)21-8-3-2-7-20(21)16-5-4-6-18(27)11-16/h2-11,17,19,22H,12-14H2,1H3,(H,28,32)/t17-,19+,22+/m1/s1
InChIKeyIBVSECGSCPJZRZ-LZNRXBQRSA-N
MW491.02 g/mol
LogP5.06
Rot. Bonds5

About N-[[(1S,3S,5S)-2-[2-(3-chlorophenyl)benzoyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[[(1S,3S,5S)-2-[2-(3-chlorophenyl)benzoyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 67081005) has the molecular formula C26H23ClN4O2S and a molecular weight of 491.02 g/mol. Its IUPAC name is N-[[(1S,3S,5S)-2-[2-(3-chlorophenyl)benzoyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(1S,3S,5S)-2-[2-(3-chlorophenyl)benzoyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID67081005
Molecular FormulaC26H23ClN4O2S
Molecular Weight491.02 g/mol
Exact Mass490.12
IUPAC NameN-[[(1S,3S,5S)-2-[2-(3-chlorophenyl)benzoyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NC[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)c1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C26H23ClN4O2S/c1-15-23(30-9-10-34-26(30)29-15)24(32)28-14-19-12-17-13-22(17)31(19)25(33)21-8-3-2-7-20(21)16-5-4-6-18(27)11-16/h2-11,17,19,22H,12-14H2,1H3,(H,28,32)/t17-,19+,22+/m1/s1
InChIKeyIBVSECGSCPJZRZ-LZNRXBQRSA-N
XLogP5.06
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.02
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(1S,3S,5S)-2-[2-(3-chlorophenyl)benzoyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,3S,5S)-2-[2-(3-chlorophenyl)benzoyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[[(1S,3S,5S)-2-[2-(3-chlorophenyl)benzoyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 67081005) is N-[[(1S,3S,5S)-2-[2-(3-chlorophenyl)benzoyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[[(1S,3S,5S)-2-[2-(3-chlorophenyl)benzoyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[[(1S,3S,5S)-2-[2-(3-chlorophenyl)benzoyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)NC[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)c1ccccc1-c1cccc(Cl)c1.
What is the InChIKey of N-[[(1S,3S,5S)-2-[2-(3-chlorophenyl)benzoyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is IBVSECGSCPJZRZ-LZNRXBQRSA-N. The full InChI is InChI=1S/C26H23ClN4O2S/c1-15-23(30-9-10-34-26(30)29-15)24(32)28-14-19-12-17-13-22(17)31(19)25(33)21-8-3-2-7-20(21)16-5-4-6-18(27)11-16/h2-11,17,19,22H,12-14H2,1H3,(H,28,32)/t17-,19+,22+/m1/s1.
What are the key properties of N-[[(1S,3S,5S)-2-[2-(3-chlorophenyl)benzoyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[[(1S,3S,5S)-2-[2-(3-chlorophenyl)benzoyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 491.02 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,3S,5S)-2-[2-(3-chlorophenyl)benzoyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 67081005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).