N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide

C13H20N2O3S2 — CID 110694235

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCCN(C(=O)c1csc(C(C)C)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H20N2O3S2/c1-4-15(10-5-6-20(17,18)8-10)13(16)11-7-19-12(14-11)9(2)3/h7,9-10H,4-6,8H2,1-3H3
InChIKeyITLAHYCPYRVBNF-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.92
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 110694235) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID110694235
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCCN(C(=O)c1csc(C(C)C)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H20N2O3S2/c1-4-15(10-5-6-20(17,18)8-10)13(16)11-7-19-12(14-11)9(2)3/h7,9-10H,4-6,8H2,1-3H3
InChIKeyITLAHYCPYRVBNF-UHFFFAOYSA-N
XLogP1.92
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 134012565
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361984
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
CID 110697417
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948953
5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-3-carboxamide
CID 60739077
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079803
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111017
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593
2-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109331915
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 63859215
6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide
CID 109123689
N-(1,1-dioxothiolan-3-yl)-N-propyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51230896

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide (CID 110694235) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide is CCN(C(=O)c1csc(C(C)C)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ITLAHYCPYRVBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-4-15(10-5-6-20(17,18)8-10)13(16)11-7-19-12(14-11)9(2)3/h7,9-10H,4-6,8H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110694235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).