2-amino-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide

C10H17N3O2S — CID 106161214

IUPAC2-amino-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide
SMILESCC(CO)CCCNC(=O)c1csc(N)n1
InChIInChI=1S/C10H17N3O2S/c1-7(5-14)3-2-4-12-9(15)8-6-16-10(11)13-8/h6-7,14H,2-5H2,1H3,(H2,11,13)(H,12,15)
InChIKeyBIPYDGXTYKAQEY-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.86
Rot. Bonds6

About 2-amino-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide

2-amino-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide (PubChem CID 106161214) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-amino-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide
PubChem CID106161214
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-amino-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide
SMILESCC(CO)CCCNC(=O)c1csc(N)n1
InChIInChI=1S/C10H17N3O2S/c1-7(5-14)3-2-4-12-9(15)8-6-16-10(11)13-8/h6-7,14H,2-5H2,1H3,(H2,11,13)(H,12,15)
InChIKeyBIPYDGXTYKAQEY-UHFFFAOYSA-N
XLogP0.86
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethyl)-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide
CID 106161222
N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62788552
2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 55116109
2-amino-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 62787415
2-amino-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786815
2-amino-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide
CID 115519247
methyl 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]propanoate
CID 62787060
3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62787414
3-amino-N-(5-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-5-carboxamide
CID 106161215
2-amino-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-4-carboxamide
CID 62788374
2-amino-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 62788957
2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 62787661

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide (CID 106161214) is 2-amino-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide is CC(CO)CCCNC(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BIPYDGXTYKAQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7(5-14)3-2-4-12-9(15)8-6-16-10(11)13-8/h6-7,14H,2-5H2,1H3,(H2,11,13)(H,12,15).
What are the key properties of 2-amino-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 106161214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).