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

C18H15N5O2S — CID 155542316

IUPAC2-(1H-indazol-4-ylamino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(Nc3cccc4[nH]ncc34)n2)cc1
InChIInChI=1S/C18H15N5O2S/c1-25-12-7-5-11(6-8-12)20-17(24)16-10-26-18(22-16)21-14-3-2-4-15-13(14)9-19-23-15/h2-10H,1H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyFNOYPKNOFWTOCK-UHFFFAOYSA-N
MW365.42 g/mol
LogP4.02
Rot. Bonds5

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

2-(1H-indazol-4-ylamino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 155542316) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 2-(1H-indazol-4-ylamino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1H-indazol-4-ylamino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID155542316
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name2-(1H-indazol-4-ylamino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(Nc3cccc4[nH]ncc34)n2)cc1
InChIInChI=1S/C18H15N5O2S/c1-25-12-7-5-11(6-8-12)20-17(24)16-10-26-18(22-16)21-14-3-2-4-15-13(14)9-19-23-15/h2-10H,1H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyFNOYPKNOFWTOCK-UHFFFAOYSA-N
XLogP4.02
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-4-ylamino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1H-indazol-4-ylamino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 155542316) is 2-(1H-indazol-4-ylamino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1H-indazol-4-ylamino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1H-indazol-4-ylamino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2csc(Nc3cccc4[nH]ncc34)n2)cc1.
What is the InChIKey of 2-(1H-indazol-4-ylamino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FNOYPKNOFWTOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-25-12-7-5-11(6-8-12)20-17(24)16-10-26-18(22-16)21-14-3-2-4-15-13(14)9-19-23-15/h2-10H,1H3,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of 2-(1H-indazol-4-ylamino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
2-(1H-indazol-4-ylamino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-4-ylamino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155542316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).