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

C15H24N2OS — CID 55065888

IUPACN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(oxan-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1nc2c(s1)CCC2)C1CCOCC1
InChIInChI=1S/C15H24N2OS/c1-2-8-16-14(11-6-9-18-10-7-11)15-17-12-4-3-5-13(12)19-15/h11,14,16H,2-10H2,1H3
InChIKeyDCWXPOQEVZXIKJ-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.10
Rot. Bonds5

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

N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(oxan-4-yl)methyl]propan-1-amine (PubChem CID 55065888) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(oxan-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(oxan-4-yl)methyl]propan-1-amine
PubChem CID55065888
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(oxan-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1nc2c(s1)CCC2)C1CCOCC1
InChIInChI=1S/C15H24N2OS/c1-2-8-16-14(11-6-9-18-10-7-11)15-17-12-4-3-5-13(12)19-15/h11,14,16H,2-10H2,1H3
InChIKeyDCWXPOQEVZXIKJ-UHFFFAOYSA-N
XLogP3.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(oxan-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(oxan-4-yl)methyl]propan-1-amine (CID 55065888) is N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(oxan-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(oxan-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(oxan-4-yl)methyl]propan-1-amine is CCCNC(c1nc2c(s1)CCC2)C1CCOCC1.
What is the InChIKey of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(oxan-4-yl)methyl]propan-1-amine?
The InChIKey is DCWXPOQEVZXIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-2-8-16-14(11-6-9-18-10-7-11)15-17-12-4-3-5-13(12)19-15/h11,14,16H,2-10H2,1H3.
What are the key properties of N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(oxan-4-yl)methyl]propan-1-amine?
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(oxan-4-yl)methyl]propan-1-amine has a molecular weight of 280.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl(oxan-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 55065888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).