N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide

C28H21N3OS — CID 3448125

IUPACN-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
SMILESCn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cccnc1
InChIInChI=1S/C28H21N3OS/c1-31-25(22-16-14-21(15-17-22)20-9-4-2-5-10-20)26(23-11-6-3-7-12-23)33-28(31)30-27(32)24-13-8-18-29-19-24/h2-19H,1H3/b30-28-
InChIKeyHNADYRSFZVRKMZ-HYOGKJQXSA-N
MW447.56 g/mol
LogP6.22
Rot. Bonds4

About N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide

N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide (PubChem CID 3448125) has the molecular formula C28H21N3OS and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
PubChem CID3448125
Molecular FormulaC28H21N3OS
Molecular Weight447.56 g/mol
Exact Mass447.14
IUPAC NameN-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
SMILESCn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cccnc1
InChIInChI=1S/C28H21N3OS/c1-31-25(22-16-14-21(15-17-22)20-9-4-2-5-10-20)26(23-11-6-3-7-12-23)33-28(31)30-27(32)24-13-8-18-29-19-24/h2-19H,1H3/b30-28-
InChIKeyHNADYRSFZVRKMZ-HYOGKJQXSA-N
XLogP6.22
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethyl-3-methyl-4-phenyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide
CID 4995666
N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 838621
N-[3-(2-hydroxyethyl)-4,5-diphenyl-1,3-thiazol-2-ylidene]benzamide
CID 1008314
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-chlorobenzamide
CID 126203998
N-[3-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 59866084
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide
CID 126204701
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-fluorobenzamide
CID 126203694
2-chloro-N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide
CID 126213122
4-(4-bromophenyl)-3-methyl-5-phenyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine
CID 87804817
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 3909937
N-sulfanylidenepyridine-3-carboxamide
CID 23289350

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide?
The IUPAC name of N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide (CID 3448125) is N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide?
The canonical SMILES for N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide is Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cccnc1.
What is the InChIKey of N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide?
The InChIKey is HNADYRSFZVRKMZ-HYOGKJQXSA-N. The full InChI is InChI=1S/C28H21N3OS/c1-31-25(22-16-14-21(15-17-22)20-9-4-2-5-10-20)26(23-11-6-3-7-12-23)33-28(31)30-27(32)24-13-8-18-29-19-24/h2-19H,1H3/b30-28-.
What are the key properties of N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide?
N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide is sourced from PubChem (CID 3448125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).