2-(1-methoxycycloheptyl)-5-methyl-1,3-thiazole

C12H19NOS — CID 116782796

IUPAC2-(1-methoxycycloheptyl)-5-methyl-1,3-thiazole
SMILESCOC1(c2ncc(C)s2)CCCCCC1
InChIInChI=1S/C12H19NOS/c1-10-9-13-11(15-10)12(14-2)7-5-3-4-6-8-12/h9H,3-8H2,1-2H3
InChIKeyNBEHYJOOZQXENB-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.65
Rot. Bonds2

About 2-(1-methoxycycloheptyl)-5-methyl-1,3-thiazole

2-(1-methoxycycloheptyl)-5-methyl-1,3-thiazole (PubChem CID 116782796) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(1-methoxycycloheptyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methoxycycloheptyl)-5-methyl-1,3-thiazole
PubChem CID116782796
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-(1-methoxycycloheptyl)-5-methyl-1,3-thiazole
SMILESCOC1(c2ncc(C)s2)CCCCCC1
InChIInChI=1S/C12H19NOS/c1-10-9-13-11(15-10)12(14-2)7-5-3-4-6-8-12/h9H,3-8H2,1-2H3
InChIKeyNBEHYJOOZQXENB-UHFFFAOYSA-N
XLogP3.65
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(chloromethyl)-2-(1-methoxycycloheptyl)-1,3-thiazole
CID 116782463
5-methyl-2-(1-methylcyclononyl)-1,3-thiazole
CID 130179511
CID 123774898
CID 123774898
2-(1-methoxycyclohexyl)-1,3-thiazole-5-carboxylic acid
CID 116744720
1-[2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]ethanone
CID 116774174
1-[2-(1-methoxycycloheptyl)-1,3-thiazol-5-yl]ethanol
CID 116775248
1-[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]ethanone
CID 116727520
N-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116727622
1-[2-(1-methoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 116774126
4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)-1,3-thiazole
CID 116744684
[2-(1-methoxycyclohexyl)-1H-imidazol-5-yl]methanamine
CID 116779739
2-(1-methoxycyclohexyl)-1H-imidazole-5-carboxylic acid
CID 116777785

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycycloheptyl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(1-methoxycycloheptyl)-5-methyl-1,3-thiazole (CID 116782796) is 2-(1-methoxycycloheptyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(1-methoxycycloheptyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(1-methoxycycloheptyl)-5-methyl-1,3-thiazole is COC1(c2ncc(C)s2)CCCCCC1.
What is the InChIKey of 2-(1-methoxycycloheptyl)-5-methyl-1,3-thiazole?
The InChIKey is NBEHYJOOZQXENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10-9-13-11(15-10)12(14-2)7-5-3-4-6-8-12/h9H,3-8H2,1-2H3.
What are the key properties of 2-(1-methoxycycloheptyl)-5-methyl-1,3-thiazole?
2-(1-methoxycycloheptyl)-5-methyl-1,3-thiazole has a molecular weight of 225.36 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycycloheptyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 116782796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).