1,3-oxazole;1,3-thiazole-2-carboxamide

C7H7N3O2S — CID 161463999

IUPAC1,3-oxazole;1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nccs1.c1cocn1
InChIInChI=1S/C4H4N2OS.C3H3NO/c5-3(7)4-6-1-2-8-4;1-2-5-3-4-1/h1-2H,(H2,5,7);1-3H
InChIKeyWCEMBBFHSMWKHE-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.92
Rot. Bonds1

About 1,3-oxazole;1,3-thiazole-2-carboxamide

1,3-oxazole;1,3-thiazole-2-carboxamide (PubChem CID 161463999) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is 1,3-oxazole;1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name1,3-oxazole;1,3-thiazole-2-carboxamide
PubChem CID161463999
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC Name1,3-oxazole;1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nccs1.c1cocn1
InChIInChI=1S/C4H4N2OS.C3H3NO/c5-3(7)4-6-1-2-8-4;1-2-5-3-4-1/h1-2H,(H2,5,7);1-3H
InChIKeyWCEMBBFHSMWKHE-UHFFFAOYSA-N
XLogP0.92
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

bis(carbamothioic S-acid);1,3-oxazole
CID 174903915
ethyl 1,3-thiazole-2-carboxylate;1,3-thiazole-2-carboxamide
CID 159602190
CID 69459233
CID 69459233
potassium;hydride;1,3-thiazole-2-carboxylic acid
CID 174946287
(Z)-but-2-enedioic acid;1,3-oxazole
CID 174408863
(Z)-2-(1,3-thiazol-2-yl)but-2-enediamide
CID 134348804
1,3-thiazol-2-amine;urea
CID 87216573
(4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone
CID 110695913
carbanide;1,3-thiazole-2-carbonylazanide;tungsten(2+)
CID 178117150
N'-amino-1,3-thiazole-2-carboximidamide
CID 55279378
1,3,4-oxadiazole;1,3,4-thiadiazole-2-carboxamide
CID 159774252
hydroxymethyl 1,3-thiazole-2-carboxylate
CID 145074713

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazole;1,3-thiazole-2-carboxamide?
The IUPAC name of 1,3-oxazole;1,3-thiazole-2-carboxamide (CID 161463999) is 1,3-oxazole;1,3-thiazole-2-carboxamide.
What is the SMILES notation for 1,3-oxazole;1,3-thiazole-2-carboxamide?
The canonical SMILES for 1,3-oxazole;1,3-thiazole-2-carboxamide is NC(=O)c1nccs1.c1cocn1.
What is the InChIKey of 1,3-oxazole;1,3-thiazole-2-carboxamide?
The InChIKey is WCEMBBFHSMWKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2OS.C3H3NO/c5-3(7)4-6-1-2-8-4;1-2-5-3-4-1/h1-2H,(H2,5,7);1-3H.
What are the key properties of 1,3-oxazole;1,3-thiazole-2-carboxamide?
1,3-oxazole;1,3-thiazole-2-carboxamide has a molecular weight of 197.22 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole;1,3-thiazole-2-carboxamide is sourced from PubChem (CID 161463999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).