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

C8H12N2OS — CID 110848299

IUPACN-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)CNC(=O)c1cncs1
InChIInChI=1S/C8H12N2OS/c1-6(2)3-10-8(11)7-4-9-5-12-7/h4-6H,3H2,1-2H3,(H,10,11)
InChIKeyOZZPTYONEUDUTR-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.53
Rot. Bonds3

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

N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 110848299) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID110848299
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)CNC(=O)c1cncs1
InChIInChI=1S/C8H12N2OS/c1-6(2)3-10-8(11)7-4-9-5-12-7/h4-6H,3H2,1-2H3,(H,10,11)
InChIKeyOZZPTYONEUDUTR-UHFFFAOYSA-N
XLogP1.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 103931770
N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 23525711
N-butan-2-yl-1,3-thiazole-5-carboxamide
CID 110848421
N-(2-aminoethyl)-1,3-thiazole-5-carboxamide
CID 83617604
N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 139226744
N-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide
CID 107168303
lithium 1,3-thiazole-5-carboxylate
CID 67211399
N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 110850665
N-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide
CID 103920352
N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 175935774
N-(azetidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 141197607
(1,3-thiazole-5-carbonylamino)carbamic acid
CID 123379520

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 110848299) is N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is CC(C)CNC(=O)c1cncs1.
What is the InChIKey of N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OZZPTYONEUDUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6(2)3-10-8(11)7-4-9-5-12-7/h4-6H,3H2,1-2H3,(H,10,11).
What are the key properties of N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
N-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 184.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110848299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).