4-cyclopentyl-N-(1,1-dioxothian-4-yl)-1,3-thiazole-5-carboxamide

C14H20N2O3S2 — CID 75522417

IUPAC4-cyclopentyl-N-(1,1-dioxothian-4-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)c1scnc1C1CCCC1
InChIInChI=1S/C14H20N2O3S2/c17-14(16-11-5-7-21(18,19)8-6-11)13-12(15-9-20-13)10-3-1-2-4-10/h9-11H,1-8H2,(H,16,17)
InChIKeyVSFCHGCLDYWVLL-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.11
Rot. Bonds3

About 4-cyclopentyl-N-(1,1-dioxothian-4-yl)-1,3-thiazole-5-carboxamide

4-cyclopentyl-N-(1,1-dioxothian-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 75522417) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-cyclopentyl-N-(1,1-dioxothian-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-(1,1-dioxothian-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID75522417
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Name4-cyclopentyl-N-(1,1-dioxothian-4-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)c1scnc1C1CCCC1
InChIInChI=1S/C14H20N2O3S2/c17-14(16-11-5-7-21(18,19)8-6-11)13-12(15-9-20-13)10-3-1-2-4-10/h9-11H,1-8H2,(H,16,17)
InChIKeyVSFCHGCLDYWVLL-UHFFFAOYSA-N
XLogP2.11
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-N-hydroxy-1,3-thiazole-5-carboxamide
CID 130890993
4-cyclopentyl-N-propan-2-ylsulfonyl-1,3-thiazole-5-carboxamide
CID 146089047
4-chloro-N-cyclobutyl-1,3-thiazole-5-carboxamide
CID 130735690
N-(cyclobutylmethylsulfonyl)-4-cyclopentyl-1,3-thiazole-5-carboxamide
CID 99783513
4-cyclopentyl-N-(2-oxo-1-pyridinyl)-1,3-thiazole-5-carboxamide
CID 166212697
4-cyclopentyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 126771526
N-(2H-benzotriazol-5-yl)-4-cyclopentyl-1,3-thiazole-5-carboxamide
CID 122141772
N-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide
CID 60511869
N-(cyclobutylmethylsulfonyl)-4-cyclopropyl-1,3-thiazole-5-carboxamide
CID 84592421
4-cyclopropyl-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 126784193
N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 114296876
4-cyclopentyl-N-(1H-indazol-7-yl)-1,3-thiazole-5-carboxamide
CID 86790966

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-(1,1-dioxothian-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-cyclopentyl-N-(1,1-dioxothian-4-yl)-1,3-thiazole-5-carboxamide (CID 75522417) is 4-cyclopentyl-N-(1,1-dioxothian-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-(1,1-dioxothian-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-(1,1-dioxothian-4-yl)-1,3-thiazole-5-carboxamide is O=C(NC1CCS(=O)(=O)CC1)c1scnc1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-N-(1,1-dioxothian-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is VSFCHGCLDYWVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c17-14(16-11-5-7-21(18,19)8-6-11)13-12(15-9-20-13)10-3-1-2-4-10/h9-11H,1-8H2,(H,16,17).
What are the key properties of 4-cyclopentyl-N-(1,1-dioxothian-4-yl)-1,3-thiazole-5-carboxamide?
4-cyclopentyl-N-(1,1-dioxothian-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-(1,1-dioxothian-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75522417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).