N-(2-methoxycycloheptyl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide

C16H24N2O3S — CID 84590927

IUPACN-(2-methoxycycloheptyl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOC1CCCCCC1NC(=O)c1csc(C2CCCO2)n1
InChIInChI=1S/C16H24N2O3S/c1-20-13-7-4-2-3-6-11(13)17-15(19)12-10-22-16(18-12)14-8-5-9-21-14/h10-11,13-14H,2-9H2,1H3,(H,17,19)
InChIKeyBZHZBXULXUEXPU-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.07
Rot. Bonds4

About N-(2-methoxycycloheptyl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide

N-(2-methoxycycloheptyl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 84590927) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(2-methoxycycloheptyl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxycycloheptyl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID84590927
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-(2-methoxycycloheptyl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOC1CCCCCC1NC(=O)c1csc(C2CCCO2)n1
InChIInChI=1S/C16H24N2O3S/c1-20-13-7-4-2-3-6-11(13)17-15(19)12-10-22-16(18-12)14-8-5-9-21-14/h10-11,13-14H,2-9H2,1H3,(H,17,19)
InChIKeyBZHZBXULXUEXPU-UHFFFAOYSA-N
XLogP3.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycycloheptyl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-methoxycycloheptyl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide (CID 84590927) is N-(2-methoxycycloheptyl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxycycloheptyl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-methoxycycloheptyl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide is COC1CCCCCC1NC(=O)c1csc(C2CCCO2)n1.
What is the InChIKey of N-(2-methoxycycloheptyl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is BZHZBXULXUEXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-20-13-7-4-2-3-6-11(13)17-15(19)12-10-22-16(18-12)14-8-5-9-21-14/h10-11,13-14H,2-9H2,1H3,(H,17,19).
What are the key properties of N-(2-methoxycycloheptyl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
N-(2-methoxycycloheptyl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycycloheptyl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84590927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).