N-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)cyclohexanecarboxamide

C20H27N3OS — CID 649647

IUPACN-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCN1CCCC1)c1nc2ccccc2s1
InChIInChI=1S/C20H27N3OS/c24-19(16-8-2-1-3-9-16)23(15-14-22-12-6-7-13-22)20-21-17-10-4-5-11-18(17)25-20/h4-5,10-11,16H,1-3,6-9,12-15H2
InChIKeySVGZZPWDRAZXQK-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.31
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)cyclohexanecarboxamide

N-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)cyclohexanecarboxamide (PubChem CID 649647) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)cyclohexanecarboxamide
PubChem CID649647
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCN1CCCC1)c1nc2ccccc2s1
InChIInChI=1S/C20H27N3OS/c24-19(16-8-2-1-3-9-16)23(15-14-22-12-6-7-13-22)20-21-17-10-4-5-11-18(17)25-20/h4-5,10-11,16H,1-3,6-9,12-15H2
InChIKeySVGZZPWDRAZXQK-UHFFFAOYSA-N
XLogP4.31
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)cyclohexanecarboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)cyclohexanecarboxamide (CID 649647) is N-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)cyclohexanecarboxamide is O=C(C1CCCCC1)N(CCN1CCCC1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)cyclohexanecarboxamide?
The InChIKey is SVGZZPWDRAZXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c24-19(16-8-2-1-3-9-16)23(15-14-22-12-6-7-13-22)20-21-17-10-4-5-11-18(17)25-20/h4-5,10-11,16H,1-3,6-9,12-15H2.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)cyclohexanecarboxamide?
N-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)cyclohexanecarboxamide has a molecular weight of 357.52 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)cyclohexanecarboxamide is sourced from PubChem (CID 649647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).