2-oxo-N-propyl-3H-1,3-thiazole-4-carboxamide

C7H10N2O2S — CID 123679448

IUPAC2-oxo-N-propyl-3H-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(=O)[nH]1
InChIInChI=1S/C7H10N2O2S/c1-2-3-8-6(10)5-4-12-7(11)9-5/h4H,2-3H2,1H3,(H,8,10)(H,9,11)
InChIKeyIABDRRIFKIAZFU-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.58
Rot. Bonds3

About 2-oxo-N-propyl-3H-1,3-thiazole-4-carboxamide

2-oxo-N-propyl-3H-1,3-thiazole-4-carboxamide (PubChem CID 123679448) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-oxo-N-propyl-3H-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-propyl-3H-1,3-thiazole-4-carboxamide
PubChem CID123679448
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-oxo-N-propyl-3H-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(=O)[nH]1
InChIInChI=1S/C7H10N2O2S/c1-2-3-8-6(10)5-4-12-7(11)9-5/h4H,2-3H2,1H3,(H,8,10)(H,9,11)
InChIKeyIABDRRIFKIAZFU-UHFFFAOYSA-N
XLogP0.58
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-sulfanylethyl)acetamide
CID 177680509
N-(2-fluoroethyl)-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 130927306
3-(Methylsulfanylmethyl)-2-oxo-1,3-thiazole-4-carboxamide
CID 54568924
N-ethyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide
CID 67482344
(Z)-2-amino-N-(3-amino-3-oxopropyl)-3-sulfanylprop-2-enamide
CID 89833769
(Z)-2-amino-N-[3-(methylamino)-3-oxopropyl]-3-sulfanylprop-2-enamide
CID 89833770
2-methoxy-N,2-dimethyl-3H-1,3-thiazole-4-carboxamide
CID 90101941
N-methyl-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 123193062
N-butan-2-yl-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 123213192
2-oxo-N-propan-2-yl-3H-1,3-thiazole-4-carboxamide
CID 123265507
N-ethyl-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 123394572
N-butyl-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 123883247

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-propyl-3H-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-oxo-N-propyl-3H-1,3-thiazole-4-carboxamide (CID 123679448) is 2-oxo-N-propyl-3H-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-oxo-N-propyl-3H-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-oxo-N-propyl-3H-1,3-thiazole-4-carboxamide is CCCNC(=O)c1csc(=O)[nH]1.
What is the InChIKey of 2-oxo-N-propyl-3H-1,3-thiazole-4-carboxamide?
The InChIKey is IABDRRIFKIAZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-3-8-6(10)5-4-12-7(11)9-5/h4H,2-3H2,1H3,(H,8,10)(H,9,11).
What are the key properties of 2-oxo-N-propyl-3H-1,3-thiazole-4-carboxamide?
2-oxo-N-propyl-3H-1,3-thiazole-4-carboxamide has a molecular weight of 186.24 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-propyl-3H-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 123679448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).