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

C13H20N2O4S2 — CID 134700291

IUPACN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(C)c1csc(C(=O)N(CCO)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C13H20N2O4S2/c1-9(2)11-7-20-12(14-11)13(17)15(4-5-16)10-3-6-21(18,19)8-10/h7,9-10,16H,3-6,8H2,1-2H3
InChIKeyREBGEMIGEZWPQX-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.89
Rot. Bonds5

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

N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 134700291) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID134700291
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(C)c1csc(C(=O)N(CCO)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C13H20N2O4S2/c1-9(2)11-7-20-12(14-11)13(17)15(4-5-16)10-3-6-21(18,19)8-10/h7,9-10,16H,3-6,8H2,1-2H3
InChIKeyREBGEMIGEZWPQX-UHFFFAOYSA-N
XLogP0.89
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694235
1-(1,1-dioxothiolan-3-yl)-3-[6-[[(1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)carbamoyl]amino]hexyl]-1-(2-hydroxyethyl)urea
CID 18801531
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
CID 60743082
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 60742706
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
CID 60955727
4-bromo-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 60955728
potassium N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamodithioate
CID 18876358
4-[(1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993094
3-[(3,5-dimethoxyphenyl)methyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-1-(2-hydroxyethyl)urea
CID 126439055
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3-naphthalen-2-ylprop-2-ynamide
CID 45247014
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-iodobenzamide
CID 103221703
3-bromo-4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)benzamide
CID 107999423

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide (CID 134700291) is N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide is CC(C)c1csc(C(=O)N(CCO)C2CCS(=O)(=O)C2)n1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is REBGEMIGEZWPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-9(2)11-7-20-12(14-11)13(17)15(4-5-16)10-3-6-21(18,19)8-10/h7,9-10,16H,3-6,8H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 134700291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).