1-(cyclohexen-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol

C13H19NOS — CID 116660126

IUPAC1-(cyclohexen-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCc1csc(CC(O)CC2=CCCCC2)n1
InChIInChI=1S/C13H19NOS/c1-10-9-16-13(14-10)8-12(15)7-11-5-3-2-4-6-11/h5,9,12,15H,2-4,6-8H2,1H3
InChIKeyGKDXZOFIUDNVKP-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.25
Rot. Bonds4

About 1-(cyclohexen-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol

1-(cyclohexen-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol (PubChem CID 116660126) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
PubChem CID116660126
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-(cyclohexen-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCc1csc(CC(O)CC2=CCCCC2)n1
InChIInChI=1S/C13H19NOS/c1-10-9-16-13(14-10)8-12(15)7-11-5-3-2-4-6-11/h5,9,12,15H,2-4,6-8H2,1H3
InChIKeyGKDXZOFIUDNVKP-UHFFFAOYSA-N
XLogP3.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohepten-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106652833
1-(cyclohexen-1-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106652839
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110388410
1-(cyclohexen-1-yl)-4-methylpentan-2-ol
CID 12869932
1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol
CID 103452784
1-(1-adamantyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 115824167
1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol
CID 12622752
3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
CID 130589293
1-(1-benzothiophen-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 63737757
1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol
CID 115824182
1-(3-bromo-5-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 79702691
4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103457297

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol (CID 116660126) is 1-(cyclohexen-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol is Cc1csc(CC(O)CC2=CCCCC2)n1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is GKDXZOFIUDNVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10-9-16-13(14-10)8-12(15)7-11-5-3-2-4-6-11/h5,9,12,15H,2-4,6-8H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
1-(cyclohexen-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 237.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 116660126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).