Skip to content

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

C26H19FN6O3S — CID 154400821

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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

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

Launch Full Analysis

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).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.