N-butyl-4,5-dimethyl-1,3-thiazole-2-carboxamide

C10H16N2OS — CID 110696270

IUPACN-butyl-4,5-dimethyl-1,3-thiazole-2-carboxamide
SMILESCCCCNC(=O)c1nc(C)c(C)s1
InChIInChI=1S/C10H16N2OS/c1-4-5-6-11-9(13)10-12-7(2)8(3)14-10/h4-6H2,1-3H3,(H,11,13)
InChIKeyVXFCIYQDABJFKM-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.29
Rot. Bonds4

About N-butyl-4,5-dimethyl-1,3-thiazole-2-carboxamide

N-butyl-4,5-dimethyl-1,3-thiazole-2-carboxamide (PubChem CID 110696270) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-butyl-4,5-dimethyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-butyl-4,5-dimethyl-1,3-thiazole-2-carboxamide
PubChem CID110696270
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-butyl-4,5-dimethyl-1,3-thiazole-2-carboxamide
SMILESCCCCNC(=O)c1nc(C)c(C)s1
InChIInChI=1S/C10H16N2OS/c1-4-5-6-11-9(13)10-12-7(2)8(3)14-10/h4-6H2,1-3H3,(H,11,13)
InChIKeyVXFCIYQDABJFKM-UHFFFAOYSA-N
XLogP2.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.29
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

4,5-dimethyl-N-(trideuteriomethyl)-1,3-thiazole-2-carboxamide
CID 176866006
N-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676610
N-butyl-2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110694293
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696290
N-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696299
N-butyl-3-methylpyrazine-2-carboxamide
CID 130272239
N-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110848200
5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide
CID 80616925
4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 22382631
1-butyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111817445
N-(4-acetamidophenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696392
4,5-dimethyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide
CID 122628436

Frequently Asked Questions

What is the IUPAC name of N-butyl-4,5-dimethyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-butyl-4,5-dimethyl-1,3-thiazole-2-carboxamide (CID 110696270) is N-butyl-4,5-dimethyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-butyl-4,5-dimethyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-butyl-4,5-dimethyl-1,3-thiazole-2-carboxamide is CCCCNC(=O)c1nc(C)c(C)s1.
What is the InChIKey of N-butyl-4,5-dimethyl-1,3-thiazole-2-carboxamide?
The InChIKey is VXFCIYQDABJFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-5-6-11-9(13)10-12-7(2)8(3)14-10/h4-6H2,1-3H3,(H,11,13).
What are the key properties of N-butyl-4,5-dimethyl-1,3-thiazole-2-carboxamide?
N-butyl-4,5-dimethyl-1,3-thiazole-2-carboxamide has a molecular weight of 212.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4,5-dimethyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 110696270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).