2-phenyl-N-[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]-6-piperazin-1-ylpyrimidine-4-carboxamide

C30H26N6OS — CID 58148545

IUPAC2-phenyl-N-[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]-6-piperazin-1-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1-c1ncc(-c2ccccc2)s1)c1cc(N2CCNCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C30H26N6OS/c37-29(25-19-27(36-17-15-31-16-18-36)35-28(33-25)22-11-5-2-6-12-22)34-24-14-8-7-13-23(24)30-32-20-26(38-30)21-9-3-1-4-10-21/h1-14,19-20,31H,15-18H2,(H,34,37)
InChIKeyZJGAUOAAPRJZJP-UHFFFAOYSA-N
MW518.65 g/mol
LogP5.60
Rot. Bonds6

About 2-phenyl-N-[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]-6-piperazin-1-ylpyrimidine-4-carboxamide

2-phenyl-N-[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]-6-piperazin-1-ylpyrimidine-4-carboxamide (PubChem CID 58148545) has the molecular formula C30H26N6OS and a molecular weight of 518.65 g/mol. Its IUPAC name is 2-phenyl-N-[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]-6-piperazin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]-6-piperazin-1-ylpyrimidine-4-carboxamide
PubChem CID58148545
Molecular FormulaC30H26N6OS
Molecular Weight518.65 g/mol
Exact Mass518.19
IUPAC Name2-phenyl-N-[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]-6-piperazin-1-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1-c1ncc(-c2ccccc2)s1)c1cc(N2CCNCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C30H26N6OS/c37-29(25-19-27(36-17-15-31-16-18-36)35-28(33-25)22-11-5-2-6-12-22)34-24-14-8-7-13-23(24)30-32-20-26(38-30)21-9-3-1-4-10-21/h1-14,19-20,31H,15-18H2,(H,34,37)
InChIKeyZJGAUOAAPRJZJP-UHFFFAOYSA-N
XLogP5.60
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.65
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide
CID 141154526
N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852671
N-[2-[5-(morpholine-4-carbonyl)-1,3,4-thiadiazol-2-yl]phenyl]-6-(3-oxopiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 58148371
6-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-N-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide;hydrochloride
CID 66867764
N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852692
N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 58148531
6-(azepan-1-yl)-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854430
N-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 112852927
2-phenyl-6-[[(3R)-piperidin-3-yl]amino]-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 42624295
6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide
CID 112853043
N-(2-phenylphenyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91628590
2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine
CID 56766861

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]-6-piperazin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-phenyl-N-[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]-6-piperazin-1-ylpyrimidine-4-carboxamide (CID 58148545) is 2-phenyl-N-[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]-6-piperazin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]-6-piperazin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]-6-piperazin-1-ylpyrimidine-4-carboxamide is O=C(Nc1ccccc1-c1ncc(-c2ccccc2)s1)c1cc(N2CCNCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]-6-piperazin-1-ylpyrimidine-4-carboxamide?
The InChIKey is ZJGAUOAAPRJZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6OS/c37-29(25-19-27(36-17-15-31-16-18-36)35-28(33-25)22-11-5-2-6-12-22)34-24-14-8-7-13-23(24)30-32-20-26(38-30)21-9-3-1-4-10-21/h1-14,19-20,31H,15-18H2,(H,34,37).
What are the key properties of 2-phenyl-N-[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]-6-piperazin-1-ylpyrimidine-4-carboxamide?
2-phenyl-N-[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]-6-piperazin-1-ylpyrimidine-4-carboxamide has a molecular weight of 518.65 g/mol, XLogP of 5.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]-6-piperazin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 58148545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).