1-methyl-4-(1,2-thiazol-3-yl)azepan-4-ol

C10H16N2OS — CID 130682472

IUPAC1-methyl-4-(1,2-thiazol-3-yl)azepan-4-ol
SMILESCN1CCCC(O)(c2ccsn2)CC1
InChIInChI=1S/C10H16N2OS/c1-12-6-2-4-10(13,5-7-12)9-3-8-14-11-9/h3,8,13H,2,4-7H2,1H3
InChIKeyRNJGAZSEJRBGTI-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.45
Rot. Bonds1

About 1-methyl-4-(1,2-thiazol-3-yl)azepan-4-ol

1-methyl-4-(1,2-thiazol-3-yl)azepan-4-ol (PubChem CID 130682472) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-methyl-4-(1,2-thiazol-3-yl)azepan-4-ol.

Molecular Properties

Compound Name1-methyl-4-(1,2-thiazol-3-yl)azepan-4-ol
PubChem CID130682472
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-methyl-4-(1,2-thiazol-3-yl)azepan-4-ol
SMILESCN1CCCC(O)(c2ccsn2)CC1
InChIInChI=1S/C10H16N2OS/c1-12-6-2-4-10(13,5-7-12)9-3-8-14-11-9/h3,8,13H,2,4-7H2,1H3
InChIKeyRNJGAZSEJRBGTI-UHFFFAOYSA-N
XLogP1.45
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-4-(3-methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 69534542
1-Methyl-4-(3-methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 130646260
1,2-Dimethyl-4-(1,2-thiazol-3-yl)piperidin-4-ol
CID 126985701
1-Piperidin-4-yl-1-(1,2-thiazol-3-yl)ethanol
CID 127016493
4-Methyl-2-(1,2-thiazol-3-yl)pentan-2-ol
CID 130624388
1-Methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
CID 130625922
2-(1,2-Thiazol-3-yl)pentan-2-ol
CID 130634722
4-(1,2-Thiazol-3-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 130642967
1-Methyl-4-(1,2-thiazol-3-yl)piperidin-4-ol
CID 130704989
2-Methyl-3-(1,2-thiazol-3-yl)piperidin-3-ol
CID 130986972
1-Piperidin-3-yl-1-(1,2-thiazol-3-yl)ethanol
CID 131008348
2,4-Dimethyl-3-(1,2-thiazol-3-yl)pentan-3-ol
CID 131071308

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,2-thiazol-3-yl)azepan-4-ol?
The IUPAC name of 1-methyl-4-(1,2-thiazol-3-yl)azepan-4-ol (CID 130682472) is 1-methyl-4-(1,2-thiazol-3-yl)azepan-4-ol.
What is the SMILES notation for 1-methyl-4-(1,2-thiazol-3-yl)azepan-4-ol?
The canonical SMILES for 1-methyl-4-(1,2-thiazol-3-yl)azepan-4-ol is CN1CCCC(O)(c2ccsn2)CC1.
What is the InChIKey of 1-methyl-4-(1,2-thiazol-3-yl)azepan-4-ol?
The InChIKey is RNJGAZSEJRBGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-12-6-2-4-10(13,5-7-12)9-3-8-14-11-9/h3,8,13H,2,4-7H2,1H3.
What are the key properties of 1-methyl-4-(1,2-thiazol-3-yl)azepan-4-ol?
1-methyl-4-(1,2-thiazol-3-yl)azepan-4-ol has a molecular weight of 212.32 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,2-thiazol-3-yl)azepan-4-ol is sourced from PubChem (CID 130682472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).