N-(6-amino-1,3-benzothiazol-2-yl)cyclohexanecarboxamide

C14H17N3OS — CID 834590

IUPACN-(6-amino-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
SMILESNc1ccc2nc(NC(=O)C3CCCCC3)sc2c1
InChIInChI=1S/C14H17N3OS/c15-10-6-7-11-12(8-10)19-14(16-11)17-13(18)9-4-2-1-3-5-9/h6-9H,1-5,15H2,(H,16,17,18)
InChIKeyDLVWUTLFCCKHHZ-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.40
Rot. Bonds2

About N-(6-amino-1,3-benzothiazol-2-yl)cyclohexanecarboxamide

N-(6-amino-1,3-benzothiazol-2-yl)cyclohexanecarboxamide (PubChem CID 834590) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
PubChem CID834590
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
SMILESNc1ccc2nc(NC(=O)C3CCCCC3)sc2c1
InChIInChI=1S/C14H17N3OS/c15-10-6-7-11-12(8-10)19-14(16-11)17-13(18)9-4-2-1-3-5-9/h6-9H,1-5,15H2,(H,16,17,18)
InChIKeyDLVWUTLFCCKHHZ-UHFFFAOYSA-N
XLogP3.40
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)cyclohexanecarboxamide (CID 834590) is N-(6-amino-1,3-benzothiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)cyclohexanecarboxamide is Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is DLVWUTLFCCKHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c15-10-6-7-11-12(8-10)19-14(16-11)17-13(18)9-4-2-1-3-5-9/h6-9H,1-5,15H2,(H,16,17,18).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)cyclohexanecarboxamide?
N-(6-amino-1,3-benzothiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 275.38 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 834590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).