N-butyl-4-methyl-1,3-thiazole-5-carboxamide

C9H14N2OS — CID 110848200

IUPACN-butyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCNC(=O)c1scnc1C
InChIInChI=1S/C9H14N2OS/c1-3-4-5-10-9(12)8-7(2)11-6-13-8/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeyQGWMIFFJMALUFD-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.98
Rot. Bonds4

About N-butyl-4-methyl-1,3-thiazole-5-carboxamide

N-butyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 110848200) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-butyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID110848200
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-butyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCNC(=O)c1scnc1C
InChIInChI=1S/C9H14N2OS/c1-3-4-5-10-9(12)8-7(2)11-6-13-8/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeyQGWMIFFJMALUFD-UHFFFAOYSA-N
XLogP1.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 111150535
N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide
CID 111150534
4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazole-5-carboxamide
CID 64546330
N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 81482463
N-[4-(4-bromopyrazol-1-yl)butyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 122144246
4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide
CID 114618761
N-(2-amino-2-ethylbutyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119639748
N-hexyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84558309
4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 75522368
(2R)-2-cyano-3-(4-methyl-1,3-thiazol-5-yl)-3-oxo-N-pentylpropanamide
CID 98347666
N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 126987991
N-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 61126703

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-butyl-4-methyl-1,3-thiazole-5-carboxamide (CID 110848200) is N-butyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-butyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-butyl-4-methyl-1,3-thiazole-5-carboxamide is CCCCNC(=O)c1scnc1C.
What is the InChIKey of N-butyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QGWMIFFJMALUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-3-4-5-10-9(12)8-7(2)11-6-13-8/h6H,3-5H2,1-2H3,(H,10,12).
What are the key properties of N-butyl-4-methyl-1,3-thiazole-5-carboxamide?
N-butyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 198.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110848200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).