4-cyclopentyl-N-propan-2-ylsulfonyl-1,3-thiazole-5-carboxamide

C12H18N2O3S2 — CID 146089047

IUPAC4-cyclopentyl-N-propan-2-ylsulfonyl-1,3-thiazole-5-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)c1scnc1C1CCCC1
InChIInChI=1S/C12H18N2O3S2/c1-8(2)19(16,17)14-12(15)11-10(13-7-18-11)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,14,15)
InChIKeyMMIIPPADHLCSLS-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.27
Rot. Bonds4

About 4-cyclopentyl-N-propan-2-ylsulfonyl-1,3-thiazole-5-carboxamide

4-cyclopentyl-N-propan-2-ylsulfonyl-1,3-thiazole-5-carboxamide (PubChem CID 146089047) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-cyclopentyl-N-propan-2-ylsulfonyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-propan-2-ylsulfonyl-1,3-thiazole-5-carboxamide
PubChem CID146089047
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC Name4-cyclopentyl-N-propan-2-ylsulfonyl-1,3-thiazole-5-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)c1scnc1C1CCCC1
InChIInChI=1S/C12H18N2O3S2/c1-8(2)19(16,17)14-12(15)11-10(13-7-18-11)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,14,15)
InChIKeyMMIIPPADHLCSLS-UHFFFAOYSA-N
XLogP2.27
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclobutylmethylsulfonyl)-4-cyclopentyl-1,3-thiazole-5-carboxamide
CID 99783513
N-(cyclobutylmethylsulfonyl)-4-cyclopropyl-1,3-thiazole-5-carboxamide
CID 84592421
4-cyclopropyl-N-hydroxy-1,3-thiazole-5-carboxamide
CID 130890993
4-cyclopentyl-N-(1,1-dioxothian-4-yl)-1,3-thiazole-5-carboxamide
CID 75522417
N-[(E)-2-(3-bromophenyl)ethenyl]sulfonyl-4-cyclopentyl-1,3-thiazole-5-carboxamide
CID 166404803
4-cyclopentyl-N-(2-oxo-1-pyridinyl)-1,3-thiazole-5-carboxamide
CID 166212697
4-cyclopentyl-N-(2-ethoxy-2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 126773080
4-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 126792075
4-cyclopentyl-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 126777534
N-(2H-benzotriazol-5-yl)-4-cyclopentyl-1,3-thiazole-5-carboxamide
CID 122141772
4-cyclopentyl-N-(1H-indazol-7-yl)-1,3-thiazole-5-carboxamide
CID 86790966
N-[(3-carbamoylphenyl)methyl]-4-cyclopentyl-1,3-thiazole-5-carboxamide
CID 75506058

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-propan-2-ylsulfonyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-cyclopentyl-N-propan-2-ylsulfonyl-1,3-thiazole-5-carboxamide (CID 146089047) is 4-cyclopentyl-N-propan-2-ylsulfonyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-propan-2-ylsulfonyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-propan-2-ylsulfonyl-1,3-thiazole-5-carboxamide is CC(C)S(=O)(=O)NC(=O)c1scnc1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-N-propan-2-ylsulfonyl-1,3-thiazole-5-carboxamide?
The InChIKey is MMIIPPADHLCSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-8(2)19(16,17)14-12(15)11-10(13-7-18-11)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 4-cyclopentyl-N-propan-2-ylsulfonyl-1,3-thiazole-5-carboxamide?
4-cyclopentyl-N-propan-2-ylsulfonyl-1,3-thiazole-5-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-propan-2-ylsulfonyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146089047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).