2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide

C13H15N3OS — CID 63107522

IUPAC2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(C)Nc1ccccc1C(=O)Nc1nccs1
InChIInChI=1S/C13H15N3OS/c1-9(2)15-11-6-4-3-5-10(11)12(17)16-13-14-7-8-18-13/h3-9,15H,1-2H3,(H,14,16,17)
InChIKeyLGBLHDYRGCHBDL-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.22
Rot. Bonds4

About 2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide

2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 63107522) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID63107522
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(C)Nc1ccccc1C(=O)Nc1nccs1
InChIInChI=1S/C13H15N3OS/c1-9(2)15-11-6-4-3-5-10(11)12(17)16-13-14-7-8-18-13/h3-9,15H,1-2H3,(H,14,16,17)
InChIKeyLGBLHDYRGCHBDL-UHFFFAOYSA-N
XLogP3.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 17358961
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
3,5-dimethoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361080
2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361272
2-(4-methoxyanilino)-N-(1,3-thiazol-2-yl)benzamide
CID 52612392
2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361278
3,5-dichloro-4-methoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361254
2-(propan-2-ylamino)-N-thiophen-3-ylbenzamide
CID 66354382
N-(2-methylphenyl)-2-(propan-2-ylamino)benzamide
CID 63107622
2-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-2-yl)benzamide
CID 110464702
2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295168
2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361114

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide (CID 63107522) is 2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide is CC(C)Nc1ccccc1C(=O)Nc1nccs1.
What is the InChIKey of 2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is LGBLHDYRGCHBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9(2)15-11-6-4-3-5-10(11)12(17)16-13-14-7-8-18-13/h3-9,15H,1-2H3,(H,14,16,17).
What are the key properties of 2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide?
2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 261.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 63107522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).