2,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide

C11H16N2O3S2 — CID 47006606

IUPAC2,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2(C)CCS(=O)(=O)C2)s1
InChIInChI=1S/C11H16N2O3S2/c1-7-9(17-8(2)12-7)10(14)13-11(3)4-5-18(15,16)6-11/h4-6H2,1-3H3,(H,13,14)
InChIKeyZVIUSHFNQQIHCA-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.07
Rot. Bonds2

About 2,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 47006606) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID47006606
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name2,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2(C)CCS(=O)(=O)C2)s1
InChIInChI=1S/C11H16N2O3S2/c1-7-9(17-8(2)12-7)10(14)13-11(3)4-5-18(15,16)6-11/h4-6H2,1-3H3,(H,13,14)
InChIKeyZVIUSHFNQQIHCA-UHFFFAOYSA-N
XLogP1.07
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide
CID 51205742
1-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 129397485
5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
CID 43020385
5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 60722078
5-bromo-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide
CID 79934442
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
N-(3-methyl-1,1-dioxothiolan-3-yl)-3-methylsulfanylthiophene-2-carboxamide
CID 56782768
4-amino-1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-5-carboxamide
CID 66124389
1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide
CID 65464423
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide
CID 42535829
6-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
CID 62240532

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide (CID 47006606) is 2,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC2(C)CCS(=O)(=O)C2)s1.
What is the InChIKey of 2,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZVIUSHFNQQIHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-7-9(17-8(2)12-7)10(14)13-11(3)4-5-18(15,16)6-11/h4-6H2,1-3H3,(H,13,14).
What are the key properties of 2,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47006606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).