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

C15H25N3S — CID 81467200

IUPAC3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,5-dimethyl-N-propylpyrrolidin-3-amine
SMILESCCCNC1(c2nc3c(s2)CCC3)CC(C)N(C)C1
InChIInChI=1S/C15H25N3S/c1-4-8-16-15(9-11(2)18(3)10-15)14-17-12-6-5-7-13(12)19-14/h11,16H,4-10H2,1-3H3
InChIKeyVUYDNLDABSOADQ-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.55
Rot. Bonds4

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

3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,5-dimethyl-N-propylpyrrolidin-3-amine (PubChem CID 81467200) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,5-dimethyl-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,5-dimethyl-N-propylpyrrolidin-3-amine
PubChem CID81467200
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,5-dimethyl-N-propylpyrrolidin-3-amine
SMILESCCCNC1(c2nc3c(s2)CCC3)CC(C)N(C)C1
InChIInChI=1S/C15H25N3S/c1-4-8-16-15(9-11(2)18(3)10-15)14-17-12-6-5-7-13(12)19-14/h11,16H,4-10H2,1-3H3
InChIKeyVUYDNLDABSOADQ-UHFFFAOYSA-N
XLogP2.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,5-dimethyl-N-propylpyrrolidin-3-amine?
The IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,5-dimethyl-N-propylpyrrolidin-3-amine (CID 81467200) is 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,5-dimethyl-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,5-dimethyl-N-propylpyrrolidin-3-amine?
The canonical SMILES for 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,5-dimethyl-N-propylpyrrolidin-3-amine is CCCNC1(c2nc3c(s2)CCC3)CC(C)N(C)C1.
What is the InChIKey of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,5-dimethyl-N-propylpyrrolidin-3-amine?
The InChIKey is VUYDNLDABSOADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-4-8-16-15(9-11(2)18(3)10-15)14-17-12-6-5-7-13(12)19-14/h11,16H,4-10H2,1-3H3.
What are the key properties of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,5-dimethyl-N-propylpyrrolidin-3-amine?
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,5-dimethyl-N-propylpyrrolidin-3-amine has a molecular weight of 279.45 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,5-dimethyl-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 81467200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).