2-(4-cyclohexylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C19H30N4OS — CID 71601702

IUPAC2-(4-cyclohexylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CN1CCN(C2CCCCC2)CC1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C19H30N4OS/c24-18(21-19-20-16-8-4-5-9-17(16)25-19)14-22-10-12-23(13-11-22)15-6-2-1-3-7-15/h15H,1-14H2,(H,20,21,24)
InChIKeyQTZZSNSOHAWIFR-UHFFFAOYSA-N
MW362.54 g/mol
LogP2.91
Rot. Bonds4

About 2-(4-cyclohexylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(4-cyclohexylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 71601702) has the molecular formula C19H30N4OS and a molecular weight of 362.54 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID71601702
Molecular FormulaC19H30N4OS
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CN1CCN(C2CCCCC2)CC1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C19H30N4OS/c24-18(21-19-20-16-8-4-5-9-17(16)25-19)14-22-10-12-23(13-11-22)15-6-2-1-3-7-15/h15H,1-14H2,(H,20,21,24)
InChIKeyQTZZSNSOHAWIFR-UHFFFAOYSA-N
XLogP2.91
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 71601702) is 2-(4-cyclohexylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is O=C(CN1CCN(C2CCCCC2)CC1)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is QTZZSNSOHAWIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4OS/c24-18(21-19-20-16-8-4-5-9-17(16)25-19)14-22-10-12-23(13-11-22)15-6-2-1-3-7-15/h15H,1-14H2,(H,20,21,24).
What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(4-cyclohexylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 362.54 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 71601702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).