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

C14H20N2O3S2 — CID 99783513

IUPACN-(cyclobutylmethylsulfonyl)-4-cyclopentyl-1,3-thiazole-5-carboxamide
SMILESO=C(NS(=O)(=O)CC1CCC1)c1scnc1C1CCCC1
InChIInChI=1S/C14H20N2O3S2/c17-14(16-21(18,19)8-10-4-3-5-10)13-12(15-9-20-13)11-6-1-2-7-11/h9-11H,1-8H2,(H,16,17)
InChIKeyXWQBKXPLUHUPEF-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.66
Rot. Bonds5

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

N-(cyclobutylmethylsulfonyl)-4-cyclopentyl-1,3-thiazole-5-carboxamide (PubChem CID 99783513) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(cyclobutylmethylsulfonyl)-4-cyclopentyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethylsulfonyl)-4-cyclopentyl-1,3-thiazole-5-carboxamide
PubChem CID99783513
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC NameN-(cyclobutylmethylsulfonyl)-4-cyclopentyl-1,3-thiazole-5-carboxamide
SMILESO=C(NS(=O)(=O)CC1CCC1)c1scnc1C1CCCC1
InChIInChI=1S/C14H20N2O3S2/c17-14(16-21(18,19)8-10-4-3-5-10)13-12(15-9-20-13)11-6-1-2-7-11/h9-11H,1-8H2,(H,16,17)
InChIKeyXWQBKXPLUHUPEF-UHFFFAOYSA-N
XLogP2.66
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethylsulfonyl)-4-cyclopentyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(cyclobutylmethylsulfonyl)-4-cyclopentyl-1,3-thiazole-5-carboxamide (CID 99783513) is N-(cyclobutylmethylsulfonyl)-4-cyclopentyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(cyclobutylmethylsulfonyl)-4-cyclopentyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(cyclobutylmethylsulfonyl)-4-cyclopentyl-1,3-thiazole-5-carboxamide is O=C(NS(=O)(=O)CC1CCC1)c1scnc1C1CCCC1.
What is the InChIKey of N-(cyclobutylmethylsulfonyl)-4-cyclopentyl-1,3-thiazole-5-carboxamide?
The InChIKey is XWQBKXPLUHUPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c17-14(16-21(18,19)8-10-4-3-5-10)13-12(15-9-20-13)11-6-1-2-7-11/h9-11H,1-8H2,(H,16,17).
What are the key properties of N-(cyclobutylmethylsulfonyl)-4-cyclopentyl-1,3-thiazole-5-carboxamide?
N-(cyclobutylmethylsulfonyl)-4-cyclopentyl-1,3-thiazole-5-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethylsulfonyl)-4-cyclopentyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99783513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).