N-phenyl-6-pyrrol-1-yl-N-[3-(1,2-thiazol-3-yl)phenyl]pyridin-2-amine

C24H18N4S — CID 58704429

IUPACN-phenyl-6-pyrrol-1-yl-N-[3-(1,2-thiazol-3-yl)phenyl]pyridin-2-amine
SMILESc1ccc(N(c2cccc(-c3ccsn3)c2)c2cccc(-n3cccc3)n2)cc1
InChIInChI=1S/C24H18N4S/c1-2-9-20(10-3-1)28(21-11-6-8-19(18-21)22-14-17-29-26-22)24-13-7-12-23(25-24)27-15-4-5-16-27/h1-18H
InChIKeyKKNVXBHZPAUTNZ-UHFFFAOYSA-N
MW394.50 g/mol
LogP6.47
Rot. Bonds5

About N-phenyl-6-pyrrol-1-yl-N-[3-(1,2-thiazol-3-yl)phenyl]pyridin-2-amine

N-phenyl-6-pyrrol-1-yl-N-[3-(1,2-thiazol-3-yl)phenyl]pyridin-2-amine (PubChem CID 58704429) has the molecular formula C24H18N4S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-phenyl-6-pyrrol-1-yl-N-[3-(1,2-thiazol-3-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-phenyl-6-pyrrol-1-yl-N-[3-(1,2-thiazol-3-yl)phenyl]pyridin-2-amine
PubChem CID58704429
Molecular FormulaC24H18N4S
Molecular Weight394.50 g/mol
Exact Mass394.13
IUPAC NameN-phenyl-6-pyrrol-1-yl-N-[3-(1,2-thiazol-3-yl)phenyl]pyridin-2-amine
SMILESc1ccc(N(c2cccc(-c3ccsn3)c2)c2cccc(-n3cccc3)n2)cc1
InChIInChI=1S/C24H18N4S/c1-2-9-20(10-3-1)28(21-11-6-8-19(18-21)22-14-17-29-26-22)24-13-7-12-23(25-24)27-15-4-5-16-27/h1-18H
InChIKeyKKNVXBHZPAUTNZ-UHFFFAOYSA-N
XLogP6.47
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-phenyl-6-pyrrol-1-yl-N-[3-(1,2-thiazol-3-yl)phenyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-6-pyrazol-1-yl-N-(3-thiophen-3-ylphenyl)pyridin-2-amine
CID 58704171
N,N-diphenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]pyridin-2-amine
CID 23135801
N-(3-naphthalen-1-ylphenyl)-N-phenyl-6-pyrazol-1-ylpyridin-2-amine
CID 58704350
N-phenyl-6-pyridin-2-yl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine
CID 58704261
6-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]-N-phenylpyridin-2-amine
CID 142374029
6-(4,5-dihydro-1,2-oxazol-3-yl)-N-phenyl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine
CID 58704182
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
6-(1,2-benzoxazol-3-yl)-N-phenyl-N-(3-pyrrol-1-ylphenyl)pyridin-2-amine
CID 58704425
2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 155627571
6-methyl-N-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]pyridin-2-amine
CID 167376713
4-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-4-N-(2,6-diphenylphenyl)-2-N,2-N,6-N,6-N-tetraphenylpyridine-2,4,6-triamine
CID 169021212

Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-pyrrol-1-yl-N-[3-(1,2-thiazol-3-yl)phenyl]pyridin-2-amine?
The IUPAC name of N-phenyl-6-pyrrol-1-yl-N-[3-(1,2-thiazol-3-yl)phenyl]pyridin-2-amine (CID 58704429) is N-phenyl-6-pyrrol-1-yl-N-[3-(1,2-thiazol-3-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for N-phenyl-6-pyrrol-1-yl-N-[3-(1,2-thiazol-3-yl)phenyl]pyridin-2-amine?
The canonical SMILES for N-phenyl-6-pyrrol-1-yl-N-[3-(1,2-thiazol-3-yl)phenyl]pyridin-2-amine is c1ccc(N(c2cccc(-c3ccsn3)c2)c2cccc(-n3cccc3)n2)cc1.
What is the InChIKey of N-phenyl-6-pyrrol-1-yl-N-[3-(1,2-thiazol-3-yl)phenyl]pyridin-2-amine?
The InChIKey is KKNVXBHZPAUTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4S/c1-2-9-20(10-3-1)28(21-11-6-8-19(18-21)22-14-17-29-26-22)24-13-7-12-23(25-24)27-15-4-5-16-27/h1-18H.
What are the key properties of N-phenyl-6-pyrrol-1-yl-N-[3-(1,2-thiazol-3-yl)phenyl]pyridin-2-amine?
N-phenyl-6-pyrrol-1-yl-N-[3-(1,2-thiazol-3-yl)phenyl]pyridin-2-amine has a molecular weight of 394.50 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-pyrrol-1-yl-N-[3-(1,2-thiazol-3-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 58704429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).