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

C15H14N4S — CID 72891816

IUPACN-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine
SMILESCc1cccc(-c2nc(CNc3ccncn3)cs2)c1
InChIInChI=1S/C15H14N4S/c1-11-3-2-4-12(7-11)15-19-13(9-20-15)8-17-14-5-6-16-10-18-14/h2-7,9-10H,8H2,1H3,(H,16,17,18)
InChIKeyNGXHHQWYQIXPJW-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.52
Rot. Bonds4

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

N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine (PubChem CID 72891816) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine
PubChem CID72891816
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC NameN-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine
SMILESCc1cccc(-c2nc(CNc3ccncn3)cs2)c1
InChIInChI=1S/C15H14N4S/c1-11-3-2-4-12(7-11)15-19-13(9-20-15)8-17-14-5-6-16-10-18-14/h2-7,9-10H,8H2,1H3,(H,16,17,18)
InChIKeyNGXHHQWYQIXPJW-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

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Related Compounds

N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine
CID 108780015
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline
CID 43407810
3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234335
6-chloro-2-methyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 108779955
2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 22197561
N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine
CID 108780009
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809222
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 41276962
N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119509228
2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6470537
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 110333425

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine (CID 72891816) is N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine is Cc1cccc(-c2nc(CNc3ccncn3)cs2)c1.
What is the InChIKey of N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is NGXHHQWYQIXPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-11-3-2-4-12(7-11)15-19-13(9-20-15)8-17-14-5-6-16-10-18-14/h2-7,9-10H,8H2,1H3,(H,16,17,18).
What are the key properties of N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine?
N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-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-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 72891816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).