[1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclohexyl]methanol

C15H27N3OS — CID 62521332

IUPAC[1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclohexyl]methanol
SMILESCCN(CC)c1ncc(CNC2(CO)CCCCC2)s1
InChIInChI=1S/C15H27N3OS/c1-3-18(4-2)14-16-10-13(20-14)11-17-15(12-19)8-6-5-7-9-15/h10,17,19H,3-9,11-12H2,1-2H3
InChIKeyAWSPPRPLLVJTAQ-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.77
Rot. Bonds7

About [1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclohexyl]methanol

[1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclohexyl]methanol (PubChem CID 62521332) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is [1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclohexyl]methanol
PubChem CID62521332
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name[1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclohexyl]methanol
SMILESCCN(CC)c1ncc(CNC2(CO)CCCCC2)s1
InChIInChI=1S/C15H27N3OS/c1-3-18(4-2)14-16-10-13(20-14)11-17-15(12-19)8-6-5-7-9-15/h10,17,19H,3-9,11-12H2,1-2H3
InChIKeyAWSPPRPLLVJTAQ-UHFFFAOYSA-N
XLogP2.77
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclohexyl]methanol?
The IUPAC name of [1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclohexyl]methanol (CID 62521332) is [1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclohexyl]methanol is CCN(CC)c1ncc(CNC2(CO)CCCCC2)s1.
What is the InChIKey of [1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclohexyl]methanol?
The InChIKey is AWSPPRPLLVJTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-3-18(4-2)14-16-10-13(20-14)11-17-15(12-19)8-6-5-7-9-15/h10,17,19H,3-9,11-12H2,1-2H3.
What are the key properties of [1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclohexyl]methanol?
[1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclohexyl]methanol has a molecular weight of 297.47 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclohexyl]methanol is sourced from PubChem (CID 62521332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).