1-(1,3-thiazol-5-ylmethyl)azepan-4-ol

C10H16N2OS — CID 126987254

IUPAC1-(1,3-thiazol-5-ylmethyl)azepan-4-ol
SMILESOC1CCCN(Cc2cncs2)CC1
InChIInChI=1S/C10H16N2OS/c13-9-2-1-4-12(5-3-9)7-10-6-11-8-14-10/h6,8-9,13H,1-5,7H2
InChIKeyXEEGDEHOGAMHBU-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.49
Rot. Bonds2

About 1-(1,3-thiazol-5-ylmethyl)azepan-4-ol

1-(1,3-thiazol-5-ylmethyl)azepan-4-ol (PubChem CID 126987254) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-(1,3-thiazol-5-ylmethyl)azepan-4-ol.

Molecular Properties

Compound Name1-(1,3-thiazol-5-ylmethyl)azepan-4-ol
PubChem CID126987254
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-(1,3-thiazol-5-ylmethyl)azepan-4-ol
SMILESOC1CCCN(Cc2cncs2)CC1
InChIInChI=1S/C10H16N2OS/c13-9-2-1-4-12(5-3-9)7-10-6-11-8-14-10/h6,8-9,13H,1-5,7H2
InChIKeyXEEGDEHOGAMHBU-UHFFFAOYSA-N
XLogP1.49
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 141415838
2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol
CID 112548978
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 163343642
2-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol
CID 131019864
5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 112644358
1-(1,3-thiazol-5-ylmethyl)piperidine-3-carboximidamide
CID 112640779
N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 166600630
1-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 115979097
5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738462
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 112644427
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 112640915
[(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 134714404

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-5-ylmethyl)azepan-4-ol?
The IUPAC name of 1-(1,3-thiazol-5-ylmethyl)azepan-4-ol (CID 126987254) is 1-(1,3-thiazol-5-ylmethyl)azepan-4-ol.
What is the SMILES notation for 1-(1,3-thiazol-5-ylmethyl)azepan-4-ol?
The canonical SMILES for 1-(1,3-thiazol-5-ylmethyl)azepan-4-ol is OC1CCCN(Cc2cncs2)CC1.
What is the InChIKey of 1-(1,3-thiazol-5-ylmethyl)azepan-4-ol?
The InChIKey is XEEGDEHOGAMHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c13-9-2-1-4-12(5-3-9)7-10-6-11-8-14-10/h6,8-9,13H,1-5,7H2.
What are the key properties of 1-(1,3-thiazol-5-ylmethyl)azepan-4-ol?
1-(1,3-thiazol-5-ylmethyl)azepan-4-ol has a molecular weight of 212.32 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-5-ylmethyl)azepan-4-ol is sourced from PubChem (CID 126987254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).