N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-7H-purin-6-amine

C15H12N6S — CID 108772051

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-7H-purin-6-amine
SMILESCc1nc(-c2ccc(Nc3ncnc4nc[nH]c34)cc2)cs1
InChIInChI=1S/C15H12N6S/c1-9-20-12(6-22-9)10-2-4-11(5-3-10)21-15-13-14(17-7-16-13)18-8-19-15/h2-8H,1H3,(H2,16,17,18,19,21)
InChIKeyPKQTZWWKKPSCDQ-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.53
Rot. Bonds3

About N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-7H-purin-6-amine

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-7H-purin-6-amine (PubChem CID 108772051) has the molecular formula C15H12N6S and a molecular weight of 308.37 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-7H-purin-6-amine
PubChem CID108772051
Molecular FormulaC15H12N6S
Molecular Weight308.37 g/mol
Exact Mass308.08
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-7H-purin-6-amine
SMILESCc1nc(-c2ccc(Nc3ncnc4nc[nH]c34)cc2)cs1
InChIInChI=1S/C15H12N6S/c1-9-20-12(6-22-9)10-2-4-11(5-3-10)21-15-13-14(17-7-16-13)18-8-19-15/h2-8H,1H3,(H2,16,17,18,19,21)
InChIKeyPKQTZWWKKPSCDQ-UHFFFAOYSA-N
XLogP3.53
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-7H-purin-6-amine
CID 108779625
1-N-(4-methylphenyl)-2-N-(7H-purin-6-yl)benzene-1,2-diamine
CID 108778162
6-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108772038
N-(3-chloro-4-methylphenyl)-7H-purin-6-amine
CID 2155036
1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-(7H-purin-6-yl)benzene-1,3-diamine
CID 108775233
N-(7H-purin-6-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 108777079
3-[4-(7H-purin-6-ylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 118478772
N-(3,5-difluorophenyl)-7H-purin-6-amine
CID 69242091
2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 116967862
butyl 4-(7H-purin-6-ylamino)benzoate
CID 2155038
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-purin-6-amine
CID 108777633
2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine
CID 114783532

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-7H-purin-6-amine?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-7H-purin-6-amine (CID 108772051) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-7H-purin-6-amine.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-7H-purin-6-amine?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-7H-purin-6-amine is Cc1nc(-c2ccc(Nc3ncnc4nc[nH]c34)cc2)cs1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-7H-purin-6-amine?
The InChIKey is PKQTZWWKKPSCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S/c1-9-20-12(6-22-9)10-2-4-11(5-3-10)21-15-13-14(17-7-16-13)18-8-19-15/h2-8H,1H3,(H2,16,17,18,19,21).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-7H-purin-6-amine?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-7H-purin-6-amine has a molecular weight of 308.37 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-7H-purin-6-amine is sourced from PubChem (CID 108772051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).