N-butan-2-yl-1,3-thiazole-5-carboxamide

C8H12N2OS — CID 110848421

IUPACN-butan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCC(C)NC(=O)c1cncs1
InChIInChI=1S/C8H12N2OS/c1-3-6(2)10-8(11)7-4-9-5-12-7/h4-6H,3H2,1-2H3,(H,10,11)
InChIKeyQTBGYSUHPBARNZ-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.67
Rot. Bonds3

About N-butan-2-yl-1,3-thiazole-5-carboxamide

N-butan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 110848421) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-butan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID110848421
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-butan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCC(C)NC(=O)c1cncs1
InChIInChI=1S/C8H12N2OS/c1-3-6(2)10-8(11)7-4-9-5-12-7/h4-6H,3H2,1-2H3,(H,10,11)
InChIKeyQTBGYSUHPBARNZ-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 23525711
N-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide
CID 103920352
N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide
CID 103850626
N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 110848299
N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide
CID 17399690
tert-butyl (2S)-2-(1,3-thiazole-5-carbonylamino)propanoate
CID 103822380
N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 139226744
N-(2-aminoethyl)-1,3-thiazole-5-carboxamide
CID 83617604
1-(1,3-thiazol-5-yl)propan-1-one
CID 54522425
N-butan-2-yl-3-chloro-1,2-thiazole-5-carboxamide
CID 130617010
N-(2-amino-2-oxoethoxy)-1,3-thiazole-5-carboxamide
CID 103901233
1-methyl-1-(1,3-thiazole-5-carbonylamino)urea
CID 130710603

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-butan-2-yl-1,3-thiazole-5-carboxamide (CID 110848421) is N-butan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-1,3-thiazole-5-carboxamide is CCC(C)NC(=O)c1cncs1.
What is the InChIKey of N-butan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is QTBGYSUHPBARNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-6(2)10-8(11)7-4-9-5-12-7/h4-6H,3H2,1-2H3,(H,10,11).
What are the key properties of N-butan-2-yl-1,3-thiazole-5-carboxamide?
N-butan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 184.26 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110848421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).