2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide

C10H16N2OS — CID 110465467

IUPAC2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCC(C)C)c(C)s1
InChIInChI=1S/C10H16N2OS/c1-6(2)5-11-10(13)9-7(3)14-8(4)12-9/h6H,5H2,1-4H3,(H,11,13)
InChIKeyBMIPAKYQBFQNJW-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.15
Rot. Bonds3

About 2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide

2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 110465467) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID110465467
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCC(C)C)c(C)s1
InChIInChI=1S/C10H16N2OS/c1-6(2)5-11-10(13)9-7(3)14-8(4)12-9/h6H,5H2,1-4H3,(H,11,13)
InChIKeyBMIPAKYQBFQNJW-UHFFFAOYSA-N
XLogP2.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 110835406
5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 130703712
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518
N-(1-hydroxybutan-2-yl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465482
methyl 4-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]butanoate
CID 110465551
N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465620
N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465627
2,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 110474283
2,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-thiazole-4-carboxamide
CID 146121809
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110476259
N-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103771231
2-[(5-methyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 117099129

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide (CID 110465467) is 2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCC(C)C)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BMIPAKYQBFQNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-6(2)5-11-10(13)9-7(3)14-8(4)12-9/h6H,5H2,1-4H3,(H,11,13).
What are the key properties of 2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 212.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110465467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).