2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide

C9H15N3O2S — CID 64910587

IUPAC2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NCCC(C)O
InChIInChI=1S/C9H15N3O2S/c1-5(13)3-4-11-8(14)7-6(2)12-9(10)15-7/h5,13H,3-4H2,1-2H3,(H2,10,12)(H,11,14)
InChIKeyRZNXPNMCLSTXQX-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.53
Rot. Bonds4

About 2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 64910587) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID64910587
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NCCC(C)O
InChIInChI=1S/C9H15N3O2S/c1-5(13)3-4-11-8(14)7-6(2)12-9(10)15-7/h5,13H,3-4H2,1-2H3,(H2,10,12)(H,11,14)
InChIKeyRZNXPNMCLSTXQX-UHFFFAOYSA-N
XLogP0.53
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid
CID 107836028
(2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid
CID 107835738
2-amino-N-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 66168708
2-amino-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794778
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 104872462
2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 62794600
2-amino-N-[2-(4-chlorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55116242
2-amino-4-methyl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 104872441
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79249595
2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 65106677
5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 82845398

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 64910587) is 2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)NCCC(C)O.
What is the InChIKey of 2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is RZNXPNMCLSTXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-5(13)3-4-11-8(14)7-6(2)12-9(10)15-7/h5,13H,3-4H2,1-2H3,(H2,10,12)(H,11,14).
What are the key properties of 2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 229.31 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 64910587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).