N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide

C21H20N4OS — CID 163221440

IUPACN-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide
SMILESCc1ccc2[nH]ncc2c1-c1ccc2nc(NC(=O)C3CCCC3)sc2c1
InChIInChI=1S/C21H20N4OS/c1-12-6-8-16-15(11-22-25-16)19(12)14-7-9-17-18(10-14)27-21(23-17)24-20(26)13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyDBGRPBPBDSQQKJ-UHFFFAOYSA-N
MW376.49 g/mol
LogP5.28
Rot. Bonds3

About N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide

N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide (PubChem CID 163221440) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide
PubChem CID163221440
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC NameN-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide
SMILESCc1ccc2[nH]ncc2c1-c1ccc2nc(NC(=O)C3CCCC3)sc2c1
InChIInChI=1S/C21H20N4OS/c1-12-6-8-16-15(11-22-25-16)19(12)14-7-9-17-18(10-14)27-21(23-17)24-20(26)13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyDBGRPBPBDSQQKJ-UHFFFAOYSA-N
XLogP5.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.49
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide (CID 163221440) is N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide is Cc1ccc2[nH]ncc2c1-c1ccc2nc(NC(=O)C3CCCC3)sc2c1.
What is the InChIKey of N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide?
The InChIKey is DBGRPBPBDSQQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-12-6-8-16-15(11-22-25-16)19(12)14-7-9-17-18(10-14)27-21(23-17)24-20(26)13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,22,25)(H,23,24,26).
What are the key properties of N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide?
N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide has a molecular weight of 376.49 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 163221440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).