4-(3-methyl-1,2-thiazol-5-yl)oxepan-4-amine

C10H16N2OS — CID 131011067

IUPAC4-(3-methyl-1,2-thiazol-5-yl)oxepan-4-amine
SMILESCc1cc(C2(N)CCCOCC2)sn1
InChIInChI=1S/C10H16N2OS/c1-8-7-9(14-12-8)10(11)3-2-5-13-6-4-10/h7H,2-6,11H2,1H3
InChIKeyRQYJFGNILBIQTM-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.81
Rot. Bonds1

About 4-(3-methyl-1,2-thiazol-5-yl)oxepan-4-amine

4-(3-methyl-1,2-thiazol-5-yl)oxepan-4-amine (PubChem CID 131011067) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-(3-methyl-1,2-thiazol-5-yl)oxepan-4-amine.

Molecular Properties

Compound Name4-(3-methyl-1,2-thiazol-5-yl)oxepan-4-amine
PubChem CID131011067
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name4-(3-methyl-1,2-thiazol-5-yl)oxepan-4-amine
SMILESCc1cc(C2(N)CCCOCC2)sn1
InChIInChI=1S/C10H16N2OS/c1-8-7-9(14-12-8)10(11)3-2-5-13-6-4-10/h7H,2-6,11H2,1H3
InChIKeyRQYJFGNILBIQTM-UHFFFAOYSA-N
XLogP1.81
TPSA48.14 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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2-thiazol-5-yl)oxepan-4-amine?
The IUPAC name of 4-(3-methyl-1,2-thiazol-5-yl)oxepan-4-amine (CID 131011067) is 4-(3-methyl-1,2-thiazol-5-yl)oxepan-4-amine.
What is the SMILES notation for 4-(3-methyl-1,2-thiazol-5-yl)oxepan-4-amine?
The canonical SMILES for 4-(3-methyl-1,2-thiazol-5-yl)oxepan-4-amine is Cc1cc(C2(N)CCCOCC2)sn1.
What is the InChIKey of 4-(3-methyl-1,2-thiazol-5-yl)oxepan-4-amine?
The InChIKey is RQYJFGNILBIQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8-7-9(14-12-8)10(11)3-2-5-13-6-4-10/h7H,2-6,11H2,1H3.
What are the key properties of 4-(3-methyl-1,2-thiazol-5-yl)oxepan-4-amine?
4-(3-methyl-1,2-thiazol-5-yl)oxepan-4-amine has a molecular weight of 212.32 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2-thiazol-5-yl)oxepan-4-amine is sourced from PubChem (CID 131011067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).