N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine

C25H17ClN4S — CID 108779659

IUPACN-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine
SMILESClc1ccc(-c2nc(-c3ccc(Nc4cc(-c5ccccc5)ncn4)cc3)cs2)cc1
InChIInChI=1S/C25H17ClN4S/c26-20-10-6-19(7-11-20)25-30-23(15-31-25)18-8-12-21(13-9-18)29-24-14-22(27-16-28-24)17-4-2-1-3-5-17/h1-16H,(H,27,28,29)
InChIKeyLWMNBTGNVIMARM-UHFFFAOYSA-N
MW440.96 g/mol
LogP7.33
Rot. Bonds5

About N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine

N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine (PubChem CID 108779659) has the molecular formula C25H17ClN4S and a molecular weight of 440.96 g/mol. Its IUPAC name is N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine
PubChem CID108779659
Molecular FormulaC25H17ClN4S
Molecular Weight440.96 g/mol
Exact Mass440.09
IUPAC NameN-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine
SMILESClc1ccc(-c2nc(-c3ccc(Nc4cc(-c5ccccc5)ncn4)cc3)cs2)cc1
InChIInChI=1S/C25H17ClN4S/c26-20-10-6-19(7-11-20)25-30-23(15-31-25)18-8-12-21(13-9-18)29-24-14-22(27-16-28-24)17-4-2-1-3-5-17/h1-16H,(H,27,28,29)
InChIKeyLWMNBTGNVIMARM-UHFFFAOYSA-N
XLogP7.33
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.96
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-phenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108779791
6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108779744
1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
N-(4-bromophenyl)-6-phenylpyrimidin-4-amine
CID 16876814
1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea
CID 108784173
1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine
CID 108773977
3-chloro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]quinoxalin-2-amine
CID 108772125
N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine
CID 117089637
6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine
CID 63548572
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid
CID 1408950
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 16876551
2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748184

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine?
The IUPAC name of N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine (CID 108779659) is N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine is Clc1ccc(-c2nc(-c3ccc(Nc4cc(-c5ccccc5)ncn4)cc3)cs2)cc1.
What is the InChIKey of N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine?
The InChIKey is LWMNBTGNVIMARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN4S/c26-20-10-6-19(7-11-20)25-30-23(15-31-25)18-8-12-21(13-9-18)29-24-14-22(27-16-28-24)17-4-2-1-3-5-17/h1-16H,(H,27,28,29).
What are the key properties of N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine?
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine has a molecular weight of 440.96 g/mol, XLogP of 7.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 108779659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).