N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide

C10H16N2OS — CID 63038589

IUPACN-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)CC(C)NC(=O)c1cscn1
InChIInChI=1S/C10H16N2OS/c1-7(2)4-8(3)12-10(13)9-5-14-6-11-9/h5-8H,4H2,1-3H3,(H,12,13)
InChIKeyJASZKJCDMIKZNF-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.31
Rot. Bonds4

About N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide

N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 63038589) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID63038589
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)CC(C)NC(=O)c1cscn1
InChIInChI=1S/C10H16N2OS/c1-7(2)4-8(3)12-10(13)9-5-14-6-11-9/h5-8H,4H2,1-3H3,(H,12,13)
InChIKeyJASZKJCDMIKZNF-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-4-(1,3-thiazole-4-carbonylamino)pentanoic acid
CID 90378227
N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide
CID 81042781
N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038066
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
N-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 71852991
N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3-thiazole-4-carboxamide
CID 55144390
N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63049098
N-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 65193010
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide
CID 111662589
N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63038597
N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide
CID 130767344
N-[1-(2-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 55144973

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide (CID 63038589) is N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide is CC(C)CC(C)NC(=O)c1cscn1.
What is the InChIKey of N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is JASZKJCDMIKZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7(2)4-8(3)12-10(13)9-5-14-6-11-9/h5-8H,4H2,1-3H3,(H,12,13).
What are the key properties of N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide?
N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 212.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63038589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).