2-[(Z)-prop-1-enyl]-1,3-thiazole-4-carboxamide

C7H8N2OS — CID 59217959

IUPAC2-[(Z)-prop-1-enyl]-1,3-thiazole-4-carboxamide
SMILESC/C=C\c1nc(C(N)=O)cs1
InChIInChI=1S/C7H8N2OS/c1-2-3-6-9-5(4-11-6)7(8)10/h2-4H,1H3,(H2,8,10)/b3-2-
InChIKeyOAHHQWSEILBQJF-IHWYPQMZSA-N
MW168.22 g/mol
LogP1.28
Rot. Bonds2

About 2-[(Z)-prop-1-enyl]-1,3-thiazole-4-carboxamide

2-[(Z)-prop-1-enyl]-1,3-thiazole-4-carboxamide (PubChem CID 59217959) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-[(Z)-prop-1-enyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(Z)-prop-1-enyl]-1,3-thiazole-4-carboxamide
PubChem CID59217959
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name2-[(Z)-prop-1-enyl]-1,3-thiazole-4-carboxamide
SMILESC/C=C\c1nc(C(N)=O)cs1
InChIInChI=1S/C7H8N2OS/c1-2-3-6-9-5(4-11-6)7(8)10/h2-4H,1H3,(H2,8,10)/b3-2-
InChIKeyOAHHQWSEILBQJF-IHWYPQMZSA-N
XLogP1.28
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E,3S)-3,4-dihydroxybut-1-enyl]-1,3-thiazole-4-carboxamide
CID 77050763
(E)-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 55266811
2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 116891955
2-methylbutane;2-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide
CID 143597264
4-propanoyl-1,3-thiazole-2-carbaldehyde
CID 155030529
carbonic acid;4-prop-1-enyl-1,3-thiazol-2-amine
CID 88644555
carbonic acid;4-[(Z)-prop-1-enyl]-1,3-thiazol-2-amine
CID 88600251
methyl 2-(4-chlorobut-1-enyl)-1,3-thiazole-4-carboxylate
CID 170499206
methyl 2-(4-ethoxy-4-oxobut-1-enyl)-1,3-thiazole-4-carboxylate
CID 170796197
2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
CID 131092459
2-[(E)-2-thiophen-3-ylethenyl]-1,3-thiazole-4-carboxylic acid
CID 166178289
2-[(2R,4R)-4,5-dimethylhexan-2-yl]-1,3-thiazole-4-carboxamide
CID 163734386

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-prop-1-enyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(Z)-prop-1-enyl]-1,3-thiazole-4-carboxamide (CID 59217959) is 2-[(Z)-prop-1-enyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(Z)-prop-1-enyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(Z)-prop-1-enyl]-1,3-thiazole-4-carboxamide is C/C=C\c1nc(C(N)=O)cs1.
What is the InChIKey of 2-[(Z)-prop-1-enyl]-1,3-thiazole-4-carboxamide?
The InChIKey is OAHHQWSEILBQJF-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-2-3-6-9-5(4-11-6)7(8)10/h2-4H,1H3,(H2,8,10)/b3-2-.
What are the key properties of 2-[(Z)-prop-1-enyl]-1,3-thiazole-4-carboxamide?
2-[(Z)-prop-1-enyl]-1,3-thiazole-4-carboxamide has a molecular weight of 168.22 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-prop-1-enyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59217959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).