N-[(3R,5S)-1-(cyclopentanecarbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide

C18H26N4O3S — CID 72854322

IUPACN-[(3R,5S)-1-(cyclopentanecarbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cnc(C)s2)CN1C(=O)C1CCCC1
InChIInChI=1S/C18H26N4O3S/c1-3-19-16(23)14-8-13(21-17(24)15-9-20-11(2)26-15)10-22(14)18(25)12-6-4-5-7-12/h9,12-14H,3-8,10H2,1-2H3,(H,19,23)(H,21,24)/t13-,14+/m1/s1
InChIKeyVUCOTHPNZLQJGR-KGLIPLIRSA-N
MW378.50 g/mol
LogP1.48
Rot. Bonds5

About N-[(3R,5S)-1-(cyclopentanecarbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide

N-[(3R,5S)-1-(cyclopentanecarbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 72854322) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[(3R,5S)-1-(cyclopentanecarbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-(cyclopentanecarbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID72854322
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-[(3R,5S)-1-(cyclopentanecarbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cnc(C)s2)CN1C(=O)C1CCCC1
InChIInChI=1S/C18H26N4O3S/c1-3-19-16(23)14-8-13(21-17(24)15-9-20-11(2)26-15)10-22(14)18(25)12-6-4-5-7-12/h9,12-14H,3-8,10H2,1-2H3,(H,19,23)(H,21,24)/t13-,14+/m1/s1
InChIKeyVUCOTHPNZLQJGR-KGLIPLIRSA-N
XLogP1.48
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide
CID 97242103
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 163283278
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 163283355
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 90743633
Ethane;2-[[(3-methylcyclopentanecarbonyl)amino]methyl]-1,3-thiazole-5-carboxamide
CID 144242158
2-[1-(2,5-Dimethylhexanoylamino)ethyl]-1,3-thiazole-5-carboxamide;ethane
CID 144242184
N-[(2S)-3-cyclohexyl-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide
CID 176018011
N-[1-(cyclohexylmethyl)-3-piperidinyl]-2-(1-pyrrolidinylmethyl)-1,3-thiazole-5-carboxamide
CID 45929418
N-cyclopropyl-1-(2-ethyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 47426234
N-butyl-1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide
CID 47897889
N-[1-(diethylcarbamoyl)cyclohexyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48579650
2-tert-butyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide
CID 51093442

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-(cyclopentanecarbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3R,5S)-1-(cyclopentanecarbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide (CID 72854322) is N-[(3R,5S)-1-(cyclopentanecarbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-(cyclopentanecarbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-(cyclopentanecarbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide is CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cnc(C)s2)CN1C(=O)C1CCCC1.
What is the InChIKey of N-[(3R,5S)-1-(cyclopentanecarbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VUCOTHPNZLQJGR-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-3-19-16(23)14-8-13(21-17(24)15-9-20-11(2)26-15)10-22(14)18(25)12-6-4-5-7-12/h9,12-14H,3-8,10H2,1-2H3,(H,19,23)(H,21,24)/t13-,14+/m1/s1.
What are the key properties of N-[(3R,5S)-1-(cyclopentanecarbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide?
N-[(3R,5S)-1-(cyclopentanecarbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-(cyclopentanecarbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 72854322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).