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

C11H18N2OS — CID 103982927

IUPAC4-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-ol
SMILESCc1csc(CC2(O)CCCNCC2)n1
InChIInChI=1S/C11H18N2OS/c1-9-8-15-10(13-9)7-11(14)3-2-5-12-6-4-11/h8,12,14H,2-7H2,1H3
InChIKeyQTDPKFYRWAXABE-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.50
Rot. Bonds2

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

4-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-ol (PubChem CID 103982927) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-ol.

Molecular Properties

Compound Name4-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-ol
PubChem CID103982927
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-ol
SMILESCc1csc(CC2(O)CCCNCC2)n1
InChIInChI=1S/C11H18N2OS/c1-9-8-15-10(13-9)7-11(14)3-2-5-12-6-4-11/h8,12,14H,2-7H2,1H3
InChIKeyQTDPKFYRWAXABE-UHFFFAOYSA-N
XLogP1.50
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzothiazol-2-ylmethyl)azepan-4-ol
CID 103982930
3-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 63131523
2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride
CID 154902980
ethane;(4-methyl-1,3-thiazol-2-yl)methanol
CID 144707130
1-[4-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-(2-methylpropoxy)propan-1-one
CID 126828412
1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 106829673
1-[(2-ethyl-1,3-oxazol-5-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
CID 138025027
4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol
CID 103982830
2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982126
1-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]cyclopentan-1-ol
CID 65213237
4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]thian-4-ol
CID 111436780
4-(1,2,5-thiadiazol-3-ylmethyl)piperidin-4-ol
CID 130871486

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-ol?
The IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-ol (CID 103982927) is 4-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-ol.
What is the SMILES notation for 4-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-ol?
The canonical SMILES for 4-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-ol is Cc1csc(CC2(O)CCCNCC2)n1.
What is the InChIKey of 4-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-ol?
The InChIKey is QTDPKFYRWAXABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9-8-15-10(13-9)7-11(14)3-2-5-12-6-4-11/h8,12,14H,2-7H2,1H3.
What are the key properties of 4-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-ol?
4-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-ol has a molecular weight of 226.34 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-ol is sourced from PubChem (CID 103982927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).