N-methyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide

C10H16N2OS — CID 63038266

IUPACN-methyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide
SMILESCCC(C)CN(C)C(=O)c1cscn1
InChIInChI=1S/C10H16N2OS/c1-4-8(2)5-12(3)10(13)9-6-14-7-11-9/h6-8H,4-5H2,1-3H3
InChIKeyOMBMQZGSWBMYPB-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.26
Rot. Bonds4

About N-methyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide

N-methyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide (PubChem CID 63038266) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide
PubChem CID63038266
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-methyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide
SMILESCCC(C)CN(C)C(=O)c1cscn1
InChIInChI=1S/C10H16N2OS/c1-4-8(2)5-12(3)10(13)9-6-14-7-11-9/h6-8H,4-5H2,1-3H3
InChIKeyOMBMQZGSWBMYPB-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazole-4-carboxamide
CID 80710112
2-[methyl(2-methylbutyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055655
N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 63223055
4-hydrazinyl-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide
CID 62242835
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide
CID 76982221
methyl 2-[2-ethylbutyl(1,3-thiazole-4-carbonyl)amino]acetate
CID 63047684
N-methyl-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 115636242
3-[2-methylpropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119190716
N-(2-bromoethyl)-N-ethyl-1,3-thiazole-4-carboxamide
CID 80660747
N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 55144453
N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 63049772
5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide
CID 62958692

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide (CID 63038266) is N-methyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide is CCC(C)CN(C)C(=O)c1cscn1.
What is the InChIKey of N-methyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide?
The InChIKey is OMBMQZGSWBMYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-8(2)5-12(3)10(13)9-6-14-7-11-9/h6-8H,4-5H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide?
N-methyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide has a molecular weight of 212.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63038266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).