3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide

C15H19N3OS — CID 43693975

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide
SMILESCc1nc(CNc2cccc(C(=O)NC(C)C)c2)cs1
InChIInChI=1S/C15H19N3OS/c1-10(2)17-15(19)12-5-4-6-13(7-12)16-8-14-9-20-11(3)18-14/h4-7,9-10,16H,8H2,1-3H3,(H,17,19)
InChIKeyHVHJCRJNKJYPIW-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.20
Rot. Bonds5

About 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide

3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide (PubChem CID 43693975) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide
PubChem CID43693975
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide
SMILESCc1nc(CNc2cccc(C(=O)NC(C)C)c2)cs1
InChIInChI=1S/C15H19N3OS/c1-10(2)17-15(19)12-5-4-6-13(7-12)16-8-14-9-20-11(3)18-14/h4-7,9-10,16H,8H2,1-3H3,(H,17,19)
InChIKeyHVHJCRJNKJYPIW-UHFFFAOYSA-N
XLogP3.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenoxyaniline
CID 60688412
3-(benzylamino)benzoic acid;3-(benzylamino)-N-propan-2-ylbenzamide
CID 158813508
methyl 3-[(2-amino-1,3-thiazol-4-yl)methylamino]benzoate
CID 96666425
3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780796
N-propan-2-yl-3-(1H-pyrrol-2-ylmethylamino)benzamide
CID 62329239
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 43139161
3-[[5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-pyridinyl]oxy]benzamide
CID 75472563
3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid
CID 119221411
3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 43783342
3-[(5-chlorofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60780285
3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54833812
3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide (CID 43693975) is 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide is Cc1nc(CNc2cccc(C(=O)NC(C)C)c2)cs1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide?
The InChIKey is HVHJCRJNKJYPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(2)17-15(19)12-5-4-6-13(7-12)16-8-14-9-20-11(3)18-14/h4-7,9-10,16H,8H2,1-3H3,(H,17,19).
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide?
3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide has a molecular weight of 289.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 43693975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).