2-[(3-methyl-1,2-thiazol-5-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide

C20H16N6OS — CID 134556717

IUPAC2-[(3-methyl-1,2-thiazol-5-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCc1cc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)sn1
InChIInChI=1S/C20H16N6OS/c1-13-11-18(28-26-13)25-20-22-10-8-16(24-20)19(27)23-17-12-21-9-7-15(17)14-5-3-2-4-6-14/h2-12H,1H3,(H,23,27)(H,22,24,25)
InChIKeyKEAWGOQGTBSOLE-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.30
Rot. Bonds5

About 2-[(3-methyl-1,2-thiazol-5-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide

2-[(3-methyl-1,2-thiazol-5-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 134556717) has the molecular formula C20H16N6OS and a molecular weight of 388.46 g/mol. Its IUPAC name is 2-[(3-methyl-1,2-thiazol-5-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(3-methyl-1,2-thiazol-5-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
PubChem CID134556717
Molecular FormulaC20H16N6OS
Molecular Weight388.46 g/mol
Exact Mass388.11
IUPAC Name2-[(3-methyl-1,2-thiazol-5-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCc1cc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)sn1
InChIInChI=1S/C20H16N6OS/c1-13-11-18(28-26-13)25-20-22-10-8-16(24-20)19(27)23-17-12-21-9-7-15(17)14-5-3-2-4-6-14/h2-12H,1H3,(H,23,27)(H,22,24,25)
InChIKeyKEAWGOQGTBSOLE-UHFFFAOYSA-N
XLogP4.30
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methylsulfanylanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 134543081
2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 134556611
2-[(1-methyltriazol-4-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 134556719
N-(4-phenyl-3-pyridinyl)-2-(3-propan-2-yloxypropylamino)pyrimidine-4-carboxamide
CID 134556674
2-(4-cyanoanilino)-N-[4-(4-fluorophenyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 134556469
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397
2-[(5-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064436
2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118063909
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
CID 109313448
2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064170
2-N-(3-chlorocyclobutyl)-4-N-(4-phenyl-3-pyridinyl)pyridine-2,4-dicarboxamide
CID 141452842

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2-thiazol-5-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[(3-methyl-1,2-thiazol-5-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide (CID 134556717) is 2-[(3-methyl-1,2-thiazol-5-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(3-methyl-1,2-thiazol-5-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(3-methyl-1,2-thiazol-5-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide is Cc1cc(Nc2nccc(C(=O)Nc3cnccc3-c3ccccc3)n2)sn1.
What is the InChIKey of 2-[(3-methyl-1,2-thiazol-5-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is KEAWGOQGTBSOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6OS/c1-13-11-18(28-26-13)25-20-22-10-8-16(24-20)19(27)23-17-12-21-9-7-15(17)14-5-3-2-4-6-14/h2-12H,1H3,(H,23,27)(H,22,24,25).
What are the key properties of 2-[(3-methyl-1,2-thiazol-5-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide?
2-[(3-methyl-1,2-thiazol-5-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 388.46 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2-thiazol-5-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 134556717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).