1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexane-1-carbonitrile

C15H22N2S — CID 65425025

IUPAC1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)(Cc2cnc(C)s2)CC1
InChIInChI=1S/C15H22N2S/c1-3-4-13-5-7-15(11-16,8-6-13)9-14-10-17-12(2)18-14/h10,13H,3-9H2,1-2H3
InChIKeyZVMHOEPXCBKWJM-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.49
Rot. Bonds4

About 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexane-1-carbonitrile

1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexane-1-carbonitrile (PubChem CID 65425025) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexane-1-carbonitrile
PubChem CID65425025
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)(Cc2cnc(C)s2)CC1
InChIInChI=1S/C15H22N2S/c1-3-4-13-5-7-15(11-16,8-6-13)9-14-10-17-12(2)18-14/h10,13H,3-9H2,1-2H3
InChIKeyZVMHOEPXCBKWJM-UHFFFAOYSA-N
XLogP4.49
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexan-1-amine
CID 65420508
1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbonitrile
CID 65376598
4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxane-4-carbonitrile
CID 65379356
1-[(3,5-dimethylphenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65424458
1-ethyl-4-propylcyclohexane-1-carbonitrile
CID 65425800
1-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 82871247
1-[(2-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65425616
1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65424072
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile
CID 65423485
1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65425034
1-[(2-bromo-4-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65424452
1-[(5-bromo-2-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65423876

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexane-1-carbonitrile (CID 65425025) is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)(Cc2cnc(C)s2)CC1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexane-1-carbonitrile?
The InChIKey is ZVMHOEPXCBKWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-3-4-13-5-7-15(11-16,8-6-13)9-14-10-17-12(2)18-14/h10,13H,3-9H2,1-2H3.
What are the key properties of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexane-1-carbonitrile?
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexane-1-carbonitrile has a molecular weight of 262.42 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 65425025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).