5-chloro-N-[[5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]pyridine-3-carboxamide

C27H29ClN4O2S — CID 66703743

IUPAC5-chloro-N-[[5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]pyridine-3-carboxamide
SMILESCc1cccc(-c2sc(C)nc2C(=O)N2CC3CC(C)CC3C2CNC(=O)c2cncc(Cl)c2)c1
InChIInChI=1S/C27H29ClN4O2S/c1-15-5-4-6-18(7-15)25-24(31-17(3)35-25)27(34)32-14-20-8-16(2)9-22(20)23(32)13-30-26(33)19-10-21(28)12-29-11-19/h4-7,10-12,16,20,22-23H,8-9,13-14H2,1-3H3,(H,30,33)
InChIKeyGANCEVFHVDFSRX-UHFFFAOYSA-N
MW509.08 g/mol
LogP5.39
Rot. Bonds5

About 5-chloro-N-[[5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]pyridine-3-carboxamide

5-chloro-N-[[5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 66703743) has the molecular formula C27H29ClN4O2S and a molecular weight of 509.08 g/mol. Its IUPAC name is 5-chloro-N-[[5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]pyridine-3-carboxamide
PubChem CID66703743
Molecular FormulaC27H29ClN4O2S
Molecular Weight509.08 g/mol
Exact Mass508.17
IUPAC Name5-chloro-N-[[5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]pyridine-3-carboxamide
SMILESCc1cccc(-c2sc(C)nc2C(=O)N2CC3CC(C)CC3C2CNC(=O)c2cncc(Cl)c2)c1
InChIInChI=1S/C27H29ClN4O2S/c1-15-5-4-6-18(7-15)25-24(31-17(3)35-25)27(34)32-14-20-8-16(2)9-22(20)23(32)13-30-26(33)19-10-21(28)12-29-11-19/h4-7,10-12,16,20,22-23H,8-9,13-14H2,1-3H3,(H,30,33)
InChIKeyGANCEVFHVDFSRX-UHFFFAOYSA-N
XLogP5.39
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.08
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[[5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

3,5-dichloro-4-hydroxy-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 24815099
(4-chloro-2-pyridinyl) N-[[(3S,3aS,6aR)-5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate
CID 67411174
[(3aS)-3-(aminomethyl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 67409593
2-hydroxy-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 24815676
2,4-dimethyl-N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 24815862
(4-methyl-2-pyridinyl) N-[[(3S,3aS,6aR)-5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate
CID 67410490
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
2,5-dimethyl-N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]pyrazole-3-carboxamide
CID 90834436
(4-bromo-2-pyridinyl) N-[[(3S,3aS,6aR)-5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate
CID 67410447
imidazo[2,1-b][1,3]thiazol-6-yl N-[[(3S,3aS,6aR)-5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate
CID 67412580
4-methoxy-N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3-(trifluoromethyl)benzamide
CID 66998626
N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-1H-indazole-3-carboxamide
CID 25182390

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[[5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]pyridine-3-carboxamide (CID 66703743) is 5-chloro-N-[[5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[[5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[[5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]pyridine-3-carboxamide is Cc1cccc(-c2sc(C)nc2C(=O)N2CC3CC(C)CC3C2CNC(=O)c2cncc(Cl)c2)c1.
What is the InChIKey of 5-chloro-N-[[5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is GANCEVFHVDFSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O2S/c1-15-5-4-6-18(7-15)25-24(31-17(3)35-25)27(34)32-14-20-8-16(2)9-22(20)23(32)13-30-26(33)19-10-21(28)12-29-11-19/h4-7,10-12,16,20,22-23H,8-9,13-14H2,1-3H3,(H,30,33).
What are the key properties of 5-chloro-N-[[5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]pyridine-3-carboxamide?
5-chloro-N-[[5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 509.08 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66703743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).