N-[1-carbamoyl-6-[(4-fluorobenzoyl)-methylamino]indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C26H19FN6O3S — CID 154400821

IUPACN-[1-carbamoyl-6-[(4-fluorobenzoyl)-methylamino]indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1ccc(F)cc1)c1ccc2cc(NC(=O)c3csc(-c4ccncc4)n3)n(C(N)=O)c2c1
InChIInChI=1S/C26H19FN6O3S/c1-32(25(35)16-2-5-18(27)6-3-16)19-7-4-17-12-22(33(26(28)36)21(17)13-19)31-23(34)20-14-37-24(30-20)15-8-10-29-11-9-15/h2-14H,1H3,(H2,28,36)(H,31,34)
InChIKeyYDIBAPYMQFAEMD-UHFFFAOYSA-N
MW514.54 g/mol
LogP4.75
Rot. Bonds5

About N-[1-carbamoyl-6-[(4-fluorobenzoyl)-methylamino]indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

N-[1-carbamoyl-6-[(4-fluorobenzoyl)-methylamino]indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 154400821) has the molecular formula C26H19FN6O3S and a molecular weight of 514.54 g/mol. Its IUPAC name is N-[1-carbamoyl-6-[(4-fluorobenzoyl)-methylamino]indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-carbamoyl-6-[(4-fluorobenzoyl)-methylamino]indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID154400821
Molecular FormulaC26H19FN6O3S
Molecular Weight514.54 g/mol
Exact Mass514.12
IUPAC NameN-[1-carbamoyl-6-[(4-fluorobenzoyl)-methylamino]indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1ccc(F)cc1)c1ccc2cc(NC(=O)c3csc(-c4ccncc4)n3)n(C(N)=O)c2c1
InChIInChI=1S/C26H19FN6O3S/c1-32(25(35)16-2-5-18(27)6-3-16)19-7-4-17-12-22(33(26(28)36)21(17)13-19)31-23(34)20-14-37-24(30-20)15-8-10-29-11-9-15/h2-14H,1H3,(H2,28,36)(H,31,34)
InChIKeyYDIBAPYMQFAEMD-UHFFFAOYSA-N
XLogP4.75
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.54
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-carbamoyl-6-[(4-fluorobenzoyl)-methylamino]-1H-indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 123529260
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110651485
N-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 88725895
N-[2-(dimethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 53032327
2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 86983157
2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 9043781
N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 9455109
2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 169152175
N-(4-acetamido-3-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 87001763
N-[3-(cyclopropylcarbamoyl)-6-[methyl(2-methylpropanoyl)amino]-1H-indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 73054031
2-(4-fluorophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 78892236
2-(4-fluorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 86912165

Frequently Asked Questions

What is the IUPAC name of N-[1-carbamoyl-6-[(4-fluorobenzoyl)-methylamino]indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-carbamoyl-6-[(4-fluorobenzoyl)-methylamino]indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 154400821) is N-[1-carbamoyl-6-[(4-fluorobenzoyl)-methylamino]indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-carbamoyl-6-[(4-fluorobenzoyl)-methylamino]indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-carbamoyl-6-[(4-fluorobenzoyl)-methylamino]indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is CN(C(=O)c1ccc(F)cc1)c1ccc2cc(NC(=O)c3csc(-c4ccncc4)n3)n(C(N)=O)c2c1.
What is the InChIKey of N-[1-carbamoyl-6-[(4-fluorobenzoyl)-methylamino]indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is YDIBAPYMQFAEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN6O3S/c1-32(25(35)16-2-5-18(27)6-3-16)19-7-4-17-12-22(33(26(28)36)21(17)13-19)31-23(34)20-14-37-24(30-20)15-8-10-29-11-9-15/h2-14H,1H3,(H2,28,36)(H,31,34).
What are the key properties of N-[1-carbamoyl-6-[(4-fluorobenzoyl)-methylamino]indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
N-[1-carbamoyl-6-[(4-fluorobenzoyl)-methylamino]indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 514.54 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-carbamoyl-6-[(4-fluorobenzoyl)-methylamino]indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 154400821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).