4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole

C13H19NS — CID 176552899

IUPAC4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole
SMILESC=C(C)C1CCC(c2scnc2C)CC1
InChIInChI=1S/C13H19NS/c1-9(2)11-4-6-12(7-5-11)13-10(3)14-8-15-13/h8,11-12H,1,4-7H2,2-3H3
InChIKeyMJPSPFZMVMMWMG-UHFFFAOYSA-N
MW221.37 g/mol
LogP4.30
Rot. Bonds2

About 4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole

4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole (PubChem CID 176552899) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole
PubChem CID176552899
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole
SMILESC=C(C)C1CCC(c2scnc2C)CC1
InChIInChI=1S/C13H19NS/c1-9(2)11-4-6-12(7-5-11)13-10(3)14-8-15-13/h8,11-12H,1,4-7H2,2-3H3
InChIKeyMJPSPFZMVMMWMG-UHFFFAOYSA-N
XLogP4.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 82413076
4-methyl-5-piperidin-2-yl-1,3-thiazole
CID 56607472
(4-methylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 105104931
4-methyl-5-(4-methylpiperidin-2-yl)-1,3-thiazole
CID 164650987
4-methyl-5-(3-methylpiperidin-4-yl)-1,3-thiazole
CID 164650982
2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate
CID 11401580
2-cyclopentyl-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105090377
2,3-difluoro-1-methyl-4-[4-(4-prop-1-en-2-ylcyclohexyl)phenyl]benzene
CID 139452854
cyclobutyl-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 83684010
N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62079691
1,1-di(cyclobutyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 114274461
(3-methylcyclopentyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 164650929

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole?
The IUPAC name of 4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole (CID 176552899) is 4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole is C=C(C)C1CCC(c2scnc2C)CC1.
What is the InChIKey of 4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole?
The InChIKey is MJPSPFZMVMMWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-9(2)11-4-6-12(7-5-11)13-10(3)14-8-15-13/h8,11-12H,1,4-7H2,2-3H3.
What are the key properties of 4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole?
4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole has a molecular weight of 221.37 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole is sourced from PubChem (CID 176552899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).