4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol

C15H27N3OS — CID 106124874

IUPAC4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol
SMILESCCN(CC)c1ncc(CNCC2CCC(O)CC2)s1
InChIInChI=1S/C15H27N3OS/c1-3-18(4-2)15-17-11-14(20-15)10-16-9-12-5-7-13(19)8-6-12/h11-13,16,19H,3-10H2,1-2H3
InChIKeyGHWZFUWQERAHKV-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.63
Rot. Bonds7

About 4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol

4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 106124874) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol
PubChem CID106124874
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol
SMILESCCN(CC)c1ncc(CNCC2CCC(O)CC2)s1
InChIInChI=1S/C15H27N3OS/c1-3-18(4-2)15-17-11-14(20-15)10-16-9-12-5-7-13(19)8-6-12/h11-13,16,19H,3-10H2,1-2H3
InChIKeyGHWZFUWQERAHKV-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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Related Compounds

3-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol
CID 103699816
N,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 60856533
N,N-diethyl-5-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61206615
4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961852
N,N-diethyl-5-[[[(2S)-4-ethylmorpholin-2-yl]methylamino]methyl]-1,3-thiazol-2-amine
CID 95354246
N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
N,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine
CID 63454816
N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 103700618
5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 83010249
N,N-diethyl-5-[[(1-methylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 103735792
N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
CID 43778486
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide
CID 43777703

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol (CID 106124874) is 4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol is CCN(CC)c1ncc(CNCC2CCC(O)CC2)s1.
What is the InChIKey of 4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is GHWZFUWQERAHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-3-18(4-2)15-17-11-14(20-15)10-16-9-12-5-7-13(19)8-6-12/h11-13,16,19H,3-10H2,1-2H3.
What are the key properties of 4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol?
4-[[[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 4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106124874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).