3-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol

C15H27N3OS — CID 103699816

IUPAC3-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol
SMILESCCN(CC)c1ncc(CNCC2CCCC(O)C2)s1
InChIInChI=1S/C15H27N3OS/c1-3-18(4-2)15-17-11-14(20-15)10-16-9-12-6-5-7-13(19)8-12/h11-13,16,19H,3-10H2,1-2H3
InChIKeySKKHVVWGVRIGCK-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.63
Rot. Bonds7

About 3-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol

3-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 103699816) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 3-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol
PubChem CID103699816
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name3-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol
SMILESCCN(CC)c1ncc(CNCC2CCCC(O)C2)s1
InChIInChI=1S/C15H27N3OS/c1-3-18(4-2)15-17-11-14(20-15)10-16-9-12-6-5-7-13(19)8-12/h11-13,16,19H,3-10H2,1-2H3
InChIKeySKKHVVWGVRIGCK-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol (CID 103699816) is 3-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol is CCN(CC)c1ncc(CNCC2CCCC(O)C2)s1.
What is the InChIKey of 3-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is SKKHVVWGVRIGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-3-18(4-2)15-17-11-14(20-15)10-16-9-12-6-5-7-13(19)8-12/h11-13,16,19H,3-10H2,1-2H3.
What are the key properties of 3-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol?
3-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 297.47 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103699816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).