2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide

C7H9N3OS — CID 131041386

IUPAC2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide
SMILESC=CCNc1ncc(C(N)=O)s1
InChIInChI=1S/C7H9N3OS/c1-2-3-9-7-10-4-5(12-7)6(8)11/h2,4H,1,3H2,(H2,8,11)(H,9,10)
InChIKeyMYKCMQUUNIFYOH-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.84
Rot. Bonds4

About 2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide

2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide (PubChem CID 131041386) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide
PubChem CID131041386
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide
SMILESC=CCNc1ncc(C(N)=O)s1
InChIInChI=1S/C7H9N3OS/c1-2-3-9-7-10-4-5(12-7)6(8)11/h2,4H,1,3H2,(H2,8,11)(H,9,10)
InChIKeyMYKCMQUUNIFYOH-UHFFFAOYSA-N
XLogP0.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Amino-1,3-thiazole-5-carboxamide
CID 16227213
2-Acetamido-5-methylthiazole
CID 298507
2-(Methylamino)thiazole-5-carboxamide
CID 56609316
N-(5-Formylthiazol-2-yl)acetamide
CID 11829864
2-(Methylamino)-1,3-thiazole-5-carbaldehyde
CID 22081018
2-amino-N-methyl-1,3-thiazole-5-carboxamide
CID 59600355
2-(Ethylamino)-1,3-thiazole-5-carbaldehyde
CID 82416119
[2-(Ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 97236851
3,3,3-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)propanamide
CID 88578657
2-(2,2,2-Trifluoroethylamino)-1,3-thiazole-5-carbaldehyde
CID 88578691
N-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 59190850
2-Acetamidothiazole-5-carboxamide
CID 119098439

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide (CID 131041386) is 2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide is C=CCNc1ncc(C(N)=O)s1.
What is the InChIKey of 2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is MYKCMQUUNIFYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-2-3-9-7-10-4-5(12-7)6(8)11/h2,4H,1,3H2,(H2,8,11)(H,9,10).
What are the key properties of 2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide?
2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 183.24 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 131041386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).