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

C9H14N2OS — CID 127002573

IUPAC4-(1,2-thiazol-3-yl)oxepan-4-amine
SMILESNC1(c2ccsn2)CCCOCC1
InChIInChI=1S/C9H14N2OS/c10-9(8-2-7-13-11-8)3-1-5-12-6-4-9/h2,7H,1,3-6,10H2
InChIKeyVATHFOPTFUHEEG-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.50
Rot. Bonds1

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

4-(1,2-thiazol-3-yl)oxepan-4-amine (PubChem CID 127002573) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-(1,2-thiazol-3-yl)oxepan-4-amine.

Molecular Properties

Compound Name4-(1,2-thiazol-3-yl)oxepan-4-amine
PubChem CID127002573
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name4-(1,2-thiazol-3-yl)oxepan-4-amine
SMILESNC1(c2ccsn2)CCCOCC1
InChIInChI=1S/C9H14N2OS/c10-9(8-2-7-13-11-8)3-1-5-12-6-4-9/h2,7H,1,3-6,10H2
InChIKeyVATHFOPTFUHEEG-UHFFFAOYSA-N
XLogP1.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[Oxolan-3-yl(1,2-thiazol-3-yl)methyl]hydrazine
CID 130604763
(3-Methyloxan-4-yl)-(1,2-thiazol-3-yl)methanamine
CID 130604775
2-(Oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanamine
CID 130649338
Oxolan-3-yl(1,2-thiazol-3-yl)methanamine
CID 130664721
3-(1,2-Thiazol-3-yl)oxan-3-amine
CID 130721975
(2-Ethyloxolan-3-yl)-(1,2-thiazol-3-yl)methanamine
CID 130840669
[Oxan-3-yl(1,2-thiazol-3-yl)methyl]hydrazine
CID 130848693
4-(3-Methyl-1,2-thiazol-5-yl)oxepan-4-amine
CID 131011067
(2-Methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanamine
CID 131182016
4-(1,2-Thiazol-3-yl)oxan-4-amine
CID 131214101

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-thiazol-3-yl)oxepan-4-amine?
The IUPAC name of 4-(1,2-thiazol-3-yl)oxepan-4-amine (CID 127002573) is 4-(1,2-thiazol-3-yl)oxepan-4-amine.
What is the SMILES notation for 4-(1,2-thiazol-3-yl)oxepan-4-amine?
The canonical SMILES for 4-(1,2-thiazol-3-yl)oxepan-4-amine is NC1(c2ccsn2)CCCOCC1.
What is the InChIKey of 4-(1,2-thiazol-3-yl)oxepan-4-amine?
The InChIKey is VATHFOPTFUHEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c10-9(8-2-7-13-11-8)3-1-5-12-6-4-9/h2,7H,1,3-6,10H2.
What are the key properties of 4-(1,2-thiazol-3-yl)oxepan-4-amine?
4-(1,2-thiazol-3-yl)oxepan-4-amine has a molecular weight of 198.29 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-thiazol-3-yl)oxepan-4-amine is sourced from PubChem (CID 127002573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).