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

C12H16N2O3S2 — CID 84592421

IUPACN-(cyclobutylmethylsulfonyl)-4-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESO=C(NS(=O)(=O)CC1CCC1)c1scnc1C1CC1
InChIInChI=1S/C12H16N2O3S2/c15-12(11-10(9-4-5-9)13-7-18-11)14-19(16,17)6-8-2-1-3-8/h7-9H,1-6H2,(H,14,15)
InChIKeyDMNIYQFAMKHBDI-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.88
Rot. Bonds5

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

N-(cyclobutylmethylsulfonyl)-4-cyclopropyl-1,3-thiazole-5-carboxamide (PubChem CID 84592421) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(cyclobutylmethylsulfonyl)-4-cyclopropyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethylsulfonyl)-4-cyclopropyl-1,3-thiazole-5-carboxamide
PubChem CID84592421
Molecular FormulaC12H16N2O3S2
Molecular Weight300.40 g/mol
Exact Mass300.06
IUPAC NameN-(cyclobutylmethylsulfonyl)-4-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESO=C(NS(=O)(=O)CC1CCC1)c1scnc1C1CC1
InChIInChI=1S/C12H16N2O3S2/c15-12(11-10(9-4-5-9)13-7-18-11)14-19(16,17)6-8-2-1-3-8/h7-9H,1-6H2,(H,14,15)
InChIKeyDMNIYQFAMKHBDI-UHFFFAOYSA-N
XLogP1.88
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethylsulfonyl)-4-cyclopropyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(cyclobutylmethylsulfonyl)-4-cyclopropyl-1,3-thiazole-5-carboxamide (CID 84592421) is N-(cyclobutylmethylsulfonyl)-4-cyclopropyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(cyclobutylmethylsulfonyl)-4-cyclopropyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(cyclobutylmethylsulfonyl)-4-cyclopropyl-1,3-thiazole-5-carboxamide is O=C(NS(=O)(=O)CC1CCC1)c1scnc1C1CC1.
What is the InChIKey of N-(cyclobutylmethylsulfonyl)-4-cyclopropyl-1,3-thiazole-5-carboxamide?
The InChIKey is DMNIYQFAMKHBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S2/c15-12(11-10(9-4-5-9)13-7-18-11)14-19(16,17)6-8-2-1-3-8/h7-9H,1-6H2,(H,14,15).
What are the key properties of N-(cyclobutylmethylsulfonyl)-4-cyclopropyl-1,3-thiazole-5-carboxamide?
N-(cyclobutylmethylsulfonyl)-4-cyclopropyl-1,3-thiazole-5-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethylsulfonyl)-4-cyclopropyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84592421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).