2-[[4-(4-aminoquinazolin-6-yl)-1,3-thiazol-2-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide

C24H17F2N7OS — CID 86669495

IUPAC2-[[4-(4-aminoquinazolin-6-yl)-1,3-thiazol-2-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
SMILESNc1ncnc2ccc(-c3csc(Nc4ncccc4C(=O)NCc4ccc(F)c(F)c4)n3)cc12
InChIInChI=1S/C24H17F2N7OS/c25-17-5-3-13(8-18(17)26)10-29-23(34)15-2-1-7-28-22(15)33-24-32-20(11-35-24)14-4-6-19-16(9-14)21(27)31-12-30-19/h1-9,11-12H,10H2,(H,29,34)(H2,27,30,31)(H,28,32,33)
InChIKeyNCOFOJNEUBBTRC-UHFFFAOYSA-N
MW489.51 g/mol
LogP4.68
Rot. Bonds6

About 2-[[4-(4-aminoquinazolin-6-yl)-1,3-thiazol-2-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide

2-[[4-(4-aminoquinazolin-6-yl)-1,3-thiazol-2-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 86669495) has the molecular formula C24H17F2N7OS and a molecular weight of 489.51 g/mol. Its IUPAC name is 2-[[4-(4-aminoquinazolin-6-yl)-1,3-thiazol-2-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(4-aminoquinazolin-6-yl)-1,3-thiazol-2-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID86669495
Molecular FormulaC24H17F2N7OS
Molecular Weight489.51 g/mol
Exact Mass489.12
IUPAC Name2-[[4-(4-aminoquinazolin-6-yl)-1,3-thiazol-2-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
SMILESNc1ncnc2ccc(-c3csc(Nc4ncccc4C(=O)NCc4ccc(F)c(F)c4)n3)cc12
InChIInChI=1S/C24H17F2N7OS/c25-17-5-3-13(8-18(17)26)10-29-23(34)15-2-1-7-28-22(15)33-24-32-20(11-35-24)14-4-6-19-16(9-14)21(27)31-12-30-19/h1-9,11-12H,10H2,(H,29,34)(H2,27,30,31)(H,28,32,33)
InChIKeyNCOFOJNEUBBTRC-UHFFFAOYSA-N
XLogP4.68
TPSA118.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
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CID 91886057
[6-[[4-[2-(Dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoropyrimidin-2-yl]amino]-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 163183800
N-[1-(4-acetylanilino)-6-methylisoquinolin-5-yl]-4-aminothieno[3,2-d]pyrimidine-7-carboxamide
CID 71622312
N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-5-tritiopyridine-3-carboxamide
CID 166635231
4-(pyrimidin-4-ylamino)-N-(4-(6-(trifluoromethyl)pyridin-2-yl)thiazol-2-yl)benzamide
CID 11503128
N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11518228
N-(4-(3,4-difluorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11531618
4-(6-(dimethylamino)pyrimidin-4-ylamino)-N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)benzamide
CID 11569630
N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)-4-(pyrimidin-5-ylamino)benzamide
CID 11590686
N-(4-(2,4-difluorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11596674
N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)-4-(pyridin-4-ylamino)benzamide
CID 11612275

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-aminoquinazolin-6-yl)-1,3-thiazol-2-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[4-(4-aminoquinazolin-6-yl)-1,3-thiazol-2-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide (CID 86669495) is 2-[[4-(4-aminoquinazolin-6-yl)-1,3-thiazol-2-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[4-(4-aminoquinazolin-6-yl)-1,3-thiazol-2-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[4-(4-aminoquinazolin-6-yl)-1,3-thiazol-2-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide is Nc1ncnc2ccc(-c3csc(Nc4ncccc4C(=O)NCc4ccc(F)c(F)c4)n3)cc12.
What is the InChIKey of 2-[[4-(4-aminoquinazolin-6-yl)-1,3-thiazol-2-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is NCOFOJNEUBBTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N7OS/c25-17-5-3-13(8-18(17)26)10-29-23(34)15-2-1-7-28-22(15)33-24-32-20(11-35-24)14-4-6-19-16(9-14)21(27)31-12-30-19/h1-9,11-12H,10H2,(H,29,34)(H2,27,30,31)(H,28,32,33).
What are the key properties of 2-[[4-(4-aminoquinazolin-6-yl)-1,3-thiazol-2-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide?
2-[[4-(4-aminoquinazolin-6-yl)-1,3-thiazol-2-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 489.51 g/mol, XLogP of 4.68, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-aminoquinazolin-6-yl)-1,3-thiazol-2-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 86669495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).