2-amino-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide

C9H15N3OS — CID 62787415

IUPAC2-amino-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide
SMILESCCC(C)CNC(=O)c1csc(N)n1
InChIInChI=1S/C9H15N3OS/c1-3-6(2)4-11-8(13)7-5-14-9(10)12-7/h5-6H,3-4H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyPTGWZGQOFATITN-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.50
Rot. Bonds4

About 2-amino-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide

2-amino-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide (PubChem CID 62787415) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-amino-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide
PubChem CID62787415
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-amino-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide
SMILESCCC(C)CNC(=O)c1csc(N)n1
InChIInChI=1S/C9H15N3OS/c1-3-6(2)4-11-8(13)7-5-14-9(10)12-7/h5-6H,3-4H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyPTGWZGQOFATITN-UHFFFAOYSA-N
XLogP1.50
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62787414
2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62789147
(2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107835842
2-amino-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide
CID 106161214
2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 62788887
N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62788552
2-amino-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786815
N-(3-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198786
2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 62789071
2-amino-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 62788372
2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 55116109
methyl 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]propanoate
CID 62787060

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide (CID 62787415) is 2-amino-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide is CCC(C)CNC(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PTGWZGQOFATITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-6(2)4-11-8(13)7-5-14-9(10)12-7/h5-6H,3-4H2,1-2H3,(H2,10,12)(H,11,13).
What are the key properties of 2-amino-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide has a molecular weight of 213.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62787415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).