2-[[cyclopentanecarbonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

C17H27N3O2S — CID 810503

IUPAC2-[[cyclopentanecarbonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(CN(C(=O)C2CCCC2)C(C)C)n1
InChIInChI=1S/C17H27N3O2S/c1-11(2)18-16(21)14-10-23-15(19-14)9-20(12(3)4)17(22)13-7-5-6-8-13/h10-13H,5-9H2,1-4H3,(H,18,21)
InChIKeyPFXDEANOMCSMQQ-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.21
Rot. Bonds6

About 2-[[cyclopentanecarbonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-[[cyclopentanecarbonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 810503) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 2-[[cyclopentanecarbonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[cyclopentanecarbonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID810503
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name2-[[cyclopentanecarbonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(CN(C(=O)C2CCCC2)C(C)C)n1
InChIInChI=1S/C17H27N3O2S/c1-11(2)18-16(21)14-10-23-15(19-14)9-20(12(3)4)17(22)13-7-5-6-8-13/h10-13H,5-9H2,1-4H3,(H,18,21)
InChIKeyPFXDEANOMCSMQQ-UHFFFAOYSA-N
XLogP3.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 84585918
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CID 86283718
N-[3-[[(2S)-1-[(2S)-2-[[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-oxoprop-1-en-2-yl]-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentanecarbonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[cyclopentanecarbonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 810503) is 2-[[cyclopentanecarbonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[cyclopentanecarbonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[cyclopentanecarbonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)NC(=O)c1csc(CN(C(=O)C2CCCC2)C(C)C)n1.
What is the InChIKey of 2-[[cyclopentanecarbonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is PFXDEANOMCSMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-11(2)18-16(21)14-10-23-15(19-14)9-20(12(3)4)17(22)13-7-5-6-8-13/h10-13H,5-9H2,1-4H3,(H,18,21).
What are the key properties of 2-[[cyclopentanecarbonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-[[cyclopentanecarbonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentanecarbonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 810503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).