N-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

C9H15N3OS — CID 130948721

IUPACN-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC(C)C(C)N
InChIInChI=1S/C9H15N3OS/c1-5(10)6(2)12-9(13)8-7(3)11-4-14-8/h4-6H,10H2,1-3H3,(H,12,13)
InChIKeyIHSBSZOCNHGEMK-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.92
Rot. Bonds3

About N-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

N-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 130948721) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID130948721
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC(C)C(C)N
InChIInChI=1S/C9H15N3OS/c1-5(10)6(2)12-9(13)8-7(3)11-4-14-8/h4-6H,10H2,1-3H3,(H,12,13)
InChIKeyIHSBSZOCNHGEMK-UHFFFAOYSA-N
XLogP0.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62092045
3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 18071894
4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 47209094
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 75498491
4-methyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 125443312
3-methyl-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 81064431
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56782264
4-methyl-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide
CID 82723283
N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 81482463
2-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 62676725
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107260883
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 47240041

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 130948721) is N-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC(C)C(C)N.
What is the InChIKey of N-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is IHSBSZOCNHGEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-5(10)6(2)12-9(13)8-7(3)11-4-14-8/h4-6H,10H2,1-3H3,(H,12,13).
What are the key properties of N-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 213.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 130948721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).