1-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexane-1-carbaldehyde

C14H22N2OS — CID 55262116

IUPAC1-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexane-1-carbaldehyde
SMILESCc1ncsc1CN(C)CC1(C=O)CCCCC1
InChIInChI=1S/C14H22N2OS/c1-12-13(18-11-15-12)8-16(2)9-14(10-17)6-4-3-5-7-14/h10-11H,3-9H2,1-2H3
InChIKeyYAINIGHOYWLBFG-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.03
Rot. Bonds5

About 1-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexane-1-carbaldehyde

1-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexane-1-carbaldehyde (PubChem CID 55262116) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexane-1-carbaldehyde
PubChem CID55262116
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexane-1-carbaldehyde
SMILESCc1ncsc1CN(C)CC1(C=O)CCCCC1
InChIInChI=1S/C14H22N2OS/c1-12-13(18-11-15-12)8-16(2)9-14(10-17)6-4-3-5-7-14/h10-11H,3-9H2,1-2H3
InChIKeyYAINIGHOYWLBFG-UHFFFAOYSA-N
XLogP3.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexane-1-carbaldehyde (CID 55262116) is 1-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexane-1-carbaldehyde is Cc1ncsc1CN(C)CC1(C=O)CCCCC1.
What is the InChIKey of 1-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexane-1-carbaldehyde?
The InChIKey is YAINIGHOYWLBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-12-13(18-11-15-12)8-16(2)9-14(10-17)6-4-3-5-7-14/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexane-1-carbaldehyde?
1-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexane-1-carbaldehyde has a molecular weight of 266.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 55262116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).