4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine

C24H20N6S2 — CID 10182812

IUPAC4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine
SMILESCc1c(-c2ccnc(Nc3ccccc3)n2)c(SCc2nccs2)nn1-c1ccccc1
InChIInChI=1S/C24H20N6S2/c1-17-22(20-12-13-26-24(28-20)27-18-8-4-2-5-9-18)23(32-16-21-25-14-15-31-21)29-30(17)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,26,27,28)
InChIKeyGXIWOYQVMBHTPW-UHFFFAOYSA-N
MW456.60 g/mol
LogP6.13
Rot. Bonds7

About 4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine

4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine (PubChem CID 10182812) has the molecular formula C24H20N6S2 and a molecular weight of 456.60 g/mol. Its IUPAC name is 4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine
PubChem CID10182812
Molecular FormulaC24H20N6S2
Molecular Weight456.60 g/mol
Exact Mass456.12
IUPAC Name4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine
SMILESCc1c(-c2ccnc(Nc3ccccc3)n2)c(SCc2nccs2)nn1-c1ccccc1
InChIInChI=1S/C24H20N6S2/c1-17-22(20-12-13-26-24(28-20)27-18-8-4-2-5-9-18)23(32-16-21-25-14-15-31-21)29-30(17)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,26,27,28)
InChIKeyGXIWOYQVMBHTPW-UHFFFAOYSA-N
XLogP6.13
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.60
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
N-(4-methylphenyl)-4-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-amine
CID 2408495
4-[[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2573156
N-(3,5-dimethylphenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9856983
N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyrimidinyl]-7-(ethylsulfanyl)-2-(4-fluorophenyl)pyrazolo[1,5-alpha]pyridin-5-amine
CID 10142592
N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyrimidinyl]-2-(4-fluorophenyl)-7-(isopropylsulfanyl)pyrazolo[1,5-alpha]pyridin-5-amine
CID 10208724
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine
CID 10300742
4-(thiazol-2-yl)-N-m-tolylpyrimidin-2-amine
CID 20741385
4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42644808
N2-(4-(benzo[d]thiazol-2-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44564787
N-[4-(1,3-Benzothiazol-2-yl)phenyl]thieno[3,2-d]pyrimidin-4-amine
CID 44564820
N2-(3-(benzo[d]thiazol-2-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44565013

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine (CID 10182812) is 4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine is Cc1c(-c2ccnc(Nc3ccccc3)n2)c(SCc2nccs2)nn1-c1ccccc1.
What is the InChIKey of 4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine?
The InChIKey is GXIWOYQVMBHTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6S2/c1-17-22(20-12-13-26-24(28-20)27-18-8-4-2-5-9-18)23(32-16-21-25-14-15-31-21)29-30(17)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,26,27,28).
What are the key properties of 4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine?
4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine has a molecular weight of 456.60 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-1-phenyl-3-(1,3-thiazol-2-ylmethylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 10182812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).