N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide

C13H16N2O2S — CID 60801699

IUPACN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1ncc(C#CCO)s1)C1CCCCC1
InChIInChI=1S/C13H16N2O2S/c16-8-4-7-11-9-14-13(18-11)15-12(17)10-5-2-1-3-6-10/h9-10,16H,1-3,5-6,8H2,(H,14,15,17)
InChIKeyHXNPYCHXEMXMQL-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.01
Rot. Bonds2

About N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide

N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide (PubChem CID 60801699) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
PubChem CID60801699
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1ncc(C#CCO)s1)C1CCCCC1
InChIInChI=1S/C13H16N2O2S/c16-8-4-7-11-9-14-13(18-11)15-12(17)10-5-2-1-3-6-10/h9-10,16H,1-3,5-6,8H2,(H,14,15,17)
InChIKeyHXNPYCHXEMXMQL-UHFFFAOYSA-N
XLogP2.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide (CID 60801699) is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide is O=C(Nc1ncc(C#CCO)s1)C1CCCCC1.
What is the InChIKey of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is HXNPYCHXEMXMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c16-8-4-7-11-9-14-13(18-11)15-12(17)10-5-2-1-3-6-10/h9-10,16H,1-3,5-6,8H2,(H,14,15,17).
What are the key properties of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 60801699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).