N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine

C15H14N4S — CID 108775470

IUPACN-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine
SMILESCc1ccccc1-c1nc(CNc2ncccn2)cs1
InChIInChI=1S/C15H14N4S/c1-11-5-2-3-6-13(11)14-19-12(10-20-14)9-18-15-16-7-4-8-17-15/h2-8,10H,9H2,1H3,(H,16,17,18)
InChIKeyQAOUOCWYFUQROP-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.52
Rot. Bonds4

About N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine

N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine (PubChem CID 108775470) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine
PubChem CID108775470
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC NameN-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine
SMILESCc1ccccc1-c1nc(CNc2ncccn2)cs1
InChIInChI=1S/C15H14N4S/c1-11-5-2-3-6-13(11)14-19-12(10-20-14)9-18-15-16-7-4-8-17-15/h2-8,10H,9H2,1H3,(H,16,17,18)
InChIKeyQAOUOCWYFUQROP-UHFFFAOYSA-N
XLogP3.52
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine 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-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine
CID 108780015
2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737460
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide
CID 108737483
2-(2-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6467633
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]cyclohexanecarboxamide
CID 108760316
4-(2,6-dimethyl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine
CID 56863565
3-fluoro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108737461
3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108760326
4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]butan-2-amine
CID 116888422
N-benzyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylmethanamine
CID 22197508
2-(1,3-dioxoisoindol-2-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108760341
4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide
CID 108737518

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine (CID 108775470) is N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine is Cc1ccccc1-c1nc(CNc2ncccn2)cs1.
What is the InChIKey of N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine?
The InChIKey is QAOUOCWYFUQROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-11-5-2-3-6-13(11)14-19-12(10-20-14)9-18-15-16-7-4-8-17-15/h2-8,10H,9H2,1H3,(H,16,17,18).
What are the key properties of N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine?
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine has a molecular weight of 282.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 108775470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).