2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide

C7H7N3OS — CID 62788887

IUPAC2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
SMILESC#CCNC(=O)c1csc(N)n1
InChIInChI=1S/C7H7N3OS/c1-2-3-9-6(11)5-4-12-7(8)10-5/h1,4H,3H2,(H2,8,10)(H,9,11)
InChIKeyGERZQIBSCYCPAC-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.09
Rot. Bonds2

About 2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide

2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide (PubChem CID 62788887) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
PubChem CID62788887
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
SMILESC#CCNC(=O)c1csc(N)n1
InChIInChI=1S/C7H7N3OS/c1-2-3-9-6(11)5-4-12-7(8)10-5/h1,4H,3H2,(H2,8,10)(H,9,11)
InChIKeyGERZQIBSCYCPAC-UHFFFAOYSA-N
XLogP0.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62788552
3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62787414
methyl 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]propanoate
CID 62787060
2-amino-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 62787415
3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427982
2-amino-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 62788957
2-amino-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-4-carboxamide
CID 62788374
2-amino-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 65106580
(2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107835842
2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 55116109
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 65241812
2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 63243415

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide (CID 62788887) is 2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide is C#CCNC(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide?
The InChIKey is GERZQIBSCYCPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-2-3-9-6(11)5-4-12-7(8)10-5/h1,4H,3H2,(H2,8,10)(H,9,11).
What are the key properties of 2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide?
2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide has a molecular weight of 181.22 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62788887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).