4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyloxepan-4-amine

C13H20N2OS — CID 65079080

IUPAC4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyloxepan-4-amine
SMILESCNC1(c2nc3c(s2)CCC3)CCCOCC1
InChIInChI=1S/C13H20N2OS/c1-14-13(6-3-8-16-9-7-13)12-15-10-4-2-5-11(10)17-12/h14H,2-9H2,1H3
InChIKeyXRKYIBKLAUFSCH-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.25
Rot. Bonds2

About 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyloxepan-4-amine

4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyloxepan-4-amine (PubChem CID 65079080) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyloxepan-4-amine.

Molecular Properties

Compound Name4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyloxepan-4-amine
PubChem CID65079080
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyloxepan-4-amine
SMILESCNC1(c2nc3c(s2)CCC3)CCCOCC1
InChIInChI=1S/C13H20N2OS/c1-14-13(6-3-8-16-9-7-13)12-15-10-4-2-5-11(10)17-12/h14H,2-9H2,1H3
InChIKeyXRKYIBKLAUFSCH-UHFFFAOYSA-N
XLogP2.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyloxepan-4-amine?
The IUPAC name of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyloxepan-4-amine (CID 65079080) is 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyloxepan-4-amine.
What is the SMILES notation for 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyloxepan-4-amine?
The canonical SMILES for 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyloxepan-4-amine is CNC1(c2nc3c(s2)CCC3)CCCOCC1.
What is the InChIKey of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyloxepan-4-amine?
The InChIKey is XRKYIBKLAUFSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-14-13(6-3-8-16-9-7-13)12-15-10-4-2-5-11(10)17-12/h14H,2-9H2,1H3.
What are the key properties of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyloxepan-4-amine?
4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyloxepan-4-amine has a molecular weight of 252.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyloxepan-4-amine is sourced from PubChem (CID 65079080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).