N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1H-indole-5-carboxamide

C23H17N5OS — CID 72720070

IUPACN-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1H-indole-5-carboxamide
SMILESO=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C23H17N5OS/c29-22(17-5-8-20-16(12-17)9-11-25-20)26-18-6-3-15(4-7-18)21-14-30-23(28-21)27-19-2-1-10-24-13-19/h1-14,25H,(H,26,29)(H,27,28)
InChIKeyOQWXIYQNCZLHIA-UHFFFAOYSA-N
MW411.49 g/mol
LogP5.68
Rot. Bonds5

About N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1H-indole-5-carboxamide

N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1H-indole-5-carboxamide (PubChem CID 72720070) has the molecular formula C23H17N5OS and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1H-indole-5-carboxamide
PubChem CID72720070
Molecular FormulaC23H17N5OS
Molecular Weight411.49 g/mol
Exact Mass411.12
IUPAC NameN-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1H-indole-5-carboxamide
SMILESO=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C23H17N5OS/c29-22(17-5-8-20-16(12-17)9-11-25-20)26-18-6-3-15(4-7-18)21-14-30-23(28-21)27-19-2-1-10-24-13-19/h1-14,25H,(H,26,29)(H,27,28)
InChIKeyOQWXIYQNCZLHIA-UHFFFAOYSA-N
XLogP5.68
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.49
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 72720049
3-fluoro-4-methoxy-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 73168622
2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 72720053
N-(1H-indol-5-yl)-4-pyridin-3-ylbenzamide
CID 59673715
N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492822
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
3,5-dinitro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492904
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 110492864
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2463732
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 40547504
4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492839

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1H-indole-5-carboxamide (CID 72720070) is N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1H-indole-5-carboxamide is O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1H-indole-5-carboxamide?
The InChIKey is OQWXIYQNCZLHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5OS/c29-22(17-5-8-20-16(12-17)9-11-25-20)26-18-6-3-15(4-7-18)21-14-30-23(28-21)27-19-2-1-10-24-13-19/h1-14,25H,(H,26,29)(H,27,28).
What are the key properties of N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1H-indole-5-carboxamide?
N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1H-indole-5-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 5.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 72720070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).