[1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-3-methylcyclohexyl]methanol

C14H24N2OS — CID 55087029

IUPAC[1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-3-methylcyclohexyl]methanol
SMILESCCc1ncc(CNC2(CO)CCCC(C)C2)s1
InChIInChI=1S/C14H24N2OS/c1-3-13-15-8-12(18-13)9-16-14(10-17)6-4-5-11(2)7-14/h8,11,16-17H,3-7,9-10H2,1-2H3
InChIKeyNMQPMUJWUBXFJN-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.74
Rot. Bonds5

About [1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-3-methylcyclohexyl]methanol

[1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-3-methylcyclohexyl]methanol (PubChem CID 55087029) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is [1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-3-methylcyclohexyl]methanol
PubChem CID55087029
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name[1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-3-methylcyclohexyl]methanol
SMILESCCc1ncc(CNC2(CO)CCCC(C)C2)s1
InChIInChI=1S/C14H24N2OS/c1-3-13-15-8-12(18-13)9-16-14(10-17)6-4-5-11(2)7-14/h8,11,16-17H,3-7,9-10H2,1-2H3
InChIKeyNMQPMUJWUBXFJN-UHFFFAOYSA-N
XLogP2.74
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-3-methylcyclohexyl]methanol (CID 55087029) is [1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-3-methylcyclohexyl]methanol is CCc1ncc(CNC2(CO)CCCC(C)C2)s1.
What is the InChIKey of [1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-3-methylcyclohexyl]methanol?
The InChIKey is NMQPMUJWUBXFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-3-13-15-8-12(18-13)9-16-14(10-17)6-4-5-11(2)7-14/h8,11,16-17H,3-7,9-10H2,1-2H3.
What are the key properties of [1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-3-methylcyclohexyl]methanol?
[1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-3-methylcyclohexyl]methanol has a molecular weight of 268.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 55087029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).