N-(7-chloro-1H-indazol-3-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide

C15H13ClN4O2S — CID 97244097

IUPACN-(7-chloro-1H-indazol-3-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1n[nH]c2c(Cl)cccc12)c1csc([C@H]2CCCO2)n1
InChIInChI=1S/C15H13ClN4O2S/c16-9-4-1-3-8-12(9)19-20-13(8)18-14(21)10-7-23-15(17-10)11-5-2-6-22-11/h1,3-4,7,11H,2,5-6H2,(H2,18,19,20,21)/t11-/m1/s1
InChIKeyOQDBRCYVFDGJMG-LLVKDONJSA-N
MW348.82 g/mol
LogP3.78
Rot. Bonds3

About N-(7-chloro-1H-indazol-3-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide

N-(7-chloro-1H-indazol-3-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 97244097) has the molecular formula C15H13ClN4O2S and a molecular weight of 348.82 g/mol. Its IUPAC name is N-(7-chloro-1H-indazol-3-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-1H-indazol-3-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID97244097
Molecular FormulaC15H13ClN4O2S
Molecular Weight348.82 g/mol
Exact Mass348.04
IUPAC NameN-(7-chloro-1H-indazol-3-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1n[nH]c2c(Cl)cccc12)c1csc([C@H]2CCCO2)n1
InChIInChI=1S/C15H13ClN4O2S/c16-9-4-1-3-8-12(9)19-20-13(8)18-14(21)10-7-23-15(17-10)11-5-2-6-22-11/h1,3-4,7,11H,2,5-6H2,(H2,18,19,20,21)/t11-/m1/s1
InChIKeyOQDBRCYVFDGJMG-LLVKDONJSA-N
XLogP3.78
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-1H-indazol-3-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(7-chloro-1H-indazol-3-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide (CID 97244097) is N-(7-chloro-1H-indazol-3-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(7-chloro-1H-indazol-3-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(7-chloro-1H-indazol-3-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1n[nH]c2c(Cl)cccc12)c1csc([C@H]2CCCO2)n1.
What is the InChIKey of N-(7-chloro-1H-indazol-3-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is OQDBRCYVFDGJMG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13ClN4O2S/c16-9-4-1-3-8-12(9)19-20-13(8)18-14(21)10-7-23-15(17-10)11-5-2-6-22-11/h1,3-4,7,11H,2,5-6H2,(H2,18,19,20,21)/t11-/m1/s1.
What are the key properties of N-(7-chloro-1H-indazol-3-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide?
N-(7-chloro-1H-indazol-3-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 348.82 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-1H-indazol-3-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97244097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).