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

C10H16N2OS — CID 110855689

IUPACN-butyl-N,2-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(C)s1
InChIInChI=1S/C10H16N2OS/c1-4-5-6-12(3)10(13)9-7-11-8(2)14-9/h7H,4-6H2,1-3H3
InChIKeyDIVCMUZKFZIZNL-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.32
Rot. Bonds4

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

N-butyl-N,2-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 110855689) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-butyl-N,2-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-N,2-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID110855689
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-butyl-N,2-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(C)s1
InChIInChI=1S/C10H16N2OS/c1-4-5-6-12(3)10(13)9-7-11-8(2)14-9/h7H,4-6H2,1-3H3
InChIKeyDIVCMUZKFZIZNL-UHFFFAOYSA-N
XLogP2.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 103885112
2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 103790895
5-[butyl(methyl)carbamoyl]thiophene-2-carboxylic acid
CID 43414823
2-[2-(dimethylamino)ethyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]acetic acid
CID 113264836
4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide
CID 81234919
N-butyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide
CID 112689667
N-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide
CID 114034849
N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide
CID 109263866
N-cyclopropyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103828140
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119454974
ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
N-butyl-5-chloro-N-methylpyrazine-2-carboxamide
CID 103803325

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-butyl-N,2-dimethyl-1,3-thiazole-5-carboxamide (CID 110855689) is N-butyl-N,2-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-butyl-N,2-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-butyl-N,2-dimethyl-1,3-thiazole-5-carboxamide is CCCCN(C)C(=O)c1cnc(C)s1.
What is the InChIKey of N-butyl-N,2-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is DIVCMUZKFZIZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-5-6-12(3)10(13)9-7-11-8(2)14-9/h7H,4-6H2,1-3H3.
What are the key properties of N-butyl-N,2-dimethyl-1,3-thiazole-5-carboxamide?
N-butyl-N,2-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 212.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110855689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).