N-(4-fluorophenyl)-2-(1H-indazol-4-ylamino)-1,3-thiazole-4-carboxamide

C17H12FN5OS — CID 155535468

IUPACN-(4-fluorophenyl)-2-(1H-indazol-4-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1csc(Nc2cccc3[nH]ncc23)n1
InChIInChI=1S/C17H12FN5OS/c18-10-4-6-11(7-5-10)20-16(24)15-9-25-17(22-15)21-13-2-1-3-14-12(13)8-19-23-14/h1-9H,(H,19,23)(H,20,24)(H,21,22)
InChIKeyGZUFBAJDDHHEQT-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.15
Rot. Bonds4

About N-(4-fluorophenyl)-2-(1H-indazol-4-ylamino)-1,3-thiazole-4-carboxamide

N-(4-fluorophenyl)-2-(1H-indazol-4-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 155535468) has the molecular formula C17H12FN5OS and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(1H-indazol-4-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(1H-indazol-4-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID155535468
Molecular FormulaC17H12FN5OS
Molecular Weight353.38 g/mol
Exact Mass353.07
IUPAC NameN-(4-fluorophenyl)-2-(1H-indazol-4-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1csc(Nc2cccc3[nH]ncc23)n1
InChIInChI=1S/C17H12FN5OS/c18-10-4-6-11(7-5-10)20-16(24)15-9-25-17(22-15)21-13-2-1-3-14-12(13)8-19-23-14/h1-9H,(H,19,23)(H,20,24)(H,21,22)
InChIKeyGZUFBAJDDHHEQT-UHFFFAOYSA-N
XLogP4.15
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(1H-indazol-4-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-(1H-indazol-4-ylamino)-1,3-thiazole-4-carboxamide (CID 155535468) is N-(4-fluorophenyl)-2-(1H-indazol-4-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(1H-indazol-4-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(1H-indazol-4-ylamino)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(F)cc1)c1csc(Nc2cccc3[nH]ncc23)n1.
What is the InChIKey of N-(4-fluorophenyl)-2-(1H-indazol-4-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is GZUFBAJDDHHEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5OS/c18-10-4-6-11(7-5-10)20-16(24)15-9-25-17(22-15)21-13-2-1-3-14-12(13)8-19-23-14/h1-9H,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of N-(4-fluorophenyl)-2-(1H-indazol-4-ylamino)-1,3-thiazole-4-carboxamide?
N-(4-fluorophenyl)-2-(1H-indazol-4-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(1H-indazol-4-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155535468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).