4-cyclopentyl-N-(1H-indazol-7-yl)-1,3-thiazole-5-carboxamide

C16H16N4OS — CID 86790966

IUPAC4-cyclopentyl-N-(1H-indazol-7-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cccc2cn[nH]c12)c1scnc1C1CCCC1
InChIInChI=1S/C16H16N4OS/c21-16(15-14(17-9-22-15)10-4-1-2-5-10)19-12-7-3-6-11-8-18-20-13(11)12/h3,6-10H,1-2,4-5H2,(H,18,20)(H,19,21)
InChIKeyOZZBAKASNJCMCH-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.93
Rot. Bonds3

About 4-cyclopentyl-N-(1H-indazol-7-yl)-1,3-thiazole-5-carboxamide

4-cyclopentyl-N-(1H-indazol-7-yl)-1,3-thiazole-5-carboxamide (PubChem CID 86790966) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 4-cyclopentyl-N-(1H-indazol-7-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-(1H-indazol-7-yl)-1,3-thiazole-5-carboxamide
PubChem CID86790966
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name4-cyclopentyl-N-(1H-indazol-7-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cccc2cn[nH]c12)c1scnc1C1CCCC1
InChIInChI=1S/C16H16N4OS/c21-16(15-14(17-9-22-15)10-4-1-2-5-10)19-12-7-3-6-11-8-18-20-13(11)12/h3,6-10H,1-2,4-5H2,(H,18,20)(H,19,21)
InChIKeyOZZBAKASNJCMCH-UHFFFAOYSA-N
XLogP3.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-(1H-indazol-7-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-cyclopentyl-N-(1H-indazol-7-yl)-1,3-thiazole-5-carboxamide (CID 86790966) is 4-cyclopentyl-N-(1H-indazol-7-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-(1H-indazol-7-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-(1H-indazol-7-yl)-1,3-thiazole-5-carboxamide is O=C(Nc1cccc2cn[nH]c12)c1scnc1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-N-(1H-indazol-7-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is OZZBAKASNJCMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c21-16(15-14(17-9-22-15)10-4-1-2-5-10)19-12-7-3-6-11-8-18-20-13(11)12/h3,6-10H,1-2,4-5H2,(H,18,20)(H,19,21).
What are the key properties of 4-cyclopentyl-N-(1H-indazol-7-yl)-1,3-thiazole-5-carboxamide?
4-cyclopentyl-N-(1H-indazol-7-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-(1H-indazol-7-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86790966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).