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

C15H20N2O2S — CID 60801873

IUPAC3-cyclohexyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1ncc(C#CCO)s1
InChIInChI=1S/C15H20N2O2S/c18-10-4-7-13-11-16-15(20-13)17-14(19)9-8-12-5-2-1-3-6-12/h11-12,18H,1-3,5-6,8-10H2,(H,16,17,19)
InChIKeyQNPIOWSRVWOKIF-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.79
Rot. Bonds4

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

3-cyclohexyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 60801873) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-cyclohexyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide
PubChem CID60801873
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-cyclohexyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1ncc(C#CCO)s1
InChIInChI=1S/C15H20N2O2S/c18-10-4-7-13-11-16-15(20-13)17-14(19)9-8-12-5-2-1-3-6-12/h11-12,18H,1-3,5-6,8-10H2,(H,16,17,19)
InChIKeyQNPIOWSRVWOKIF-UHFFFAOYSA-N
XLogP2.79
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.79
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 3-cyclohexyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide (CID 60801873) is 3-cyclohexyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide is O=C(CCC1CCCCC1)Nc1ncc(C#CCO)s1.
What is the InChIKey of 3-cyclohexyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is QNPIOWSRVWOKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c18-10-4-7-13-11-16-15(20-13)17-14(19)9-8-12-5-2-1-3-6-12/h11-12,18H,1-3,5-6,8-10H2,(H,16,17,19).
What are the key properties of 3-cyclohexyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide?
3-cyclohexyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 292.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 60801873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).