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

C16H26N2S2 — CID 79947622

IUPAC3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine
SMILESCC(C)NC1(c2nc3c(s2)CCC3)CSCC(C)(C)C1
InChIInChI=1S/C16H26N2S2/c1-11(2)18-16(8-15(3,4)9-19-10-16)14-17-12-6-5-7-13(12)20-14/h11,18H,5-10H2,1-4H3
InChIKeyKWZANMUQGXDGLK-UHFFFAOYSA-N
MW310.53 g/mol
LogP3.99
Rot. Bonds3

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

3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine (PubChem CID 79947622) has the molecular formula C16H26N2S2 and a molecular weight of 310.53 g/mol. Its IUPAC name is 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine.

Molecular Properties

Compound Name3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine
PubChem CID79947622
Molecular FormulaC16H26N2S2
Molecular Weight310.53 g/mol
Exact Mass310.15
IUPAC Name3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine
SMILESCC(C)NC1(c2nc3c(s2)CCC3)CSCC(C)(C)C1
InChIInChI=1S/C16H26N2S2/c1-11(2)18-16(8-15(3,4)9-19-10-16)14-17-12-6-5-7-13(12)20-14/h11,18H,5-10H2,1-4H3
InChIKeyKWZANMUQGXDGLK-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.99
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)-5,5-dimethyl-N-propan-2-ylthian-3-amine?
The IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine (CID 79947622) is 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine.
What is the SMILES notation for 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine?
The canonical SMILES for 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine is CC(C)NC1(c2nc3c(s2)CCC3)CSCC(C)(C)C1.
What is the InChIKey of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine?
The InChIKey is KWZANMUQGXDGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S2/c1-11(2)18-16(8-15(3,4)9-19-10-16)14-17-12-6-5-7-13(12)20-14/h11,18H,5-10H2,1-4H3.
What are the key properties of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine?
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine has a molecular weight of 310.53 g/mol, XLogP of 3.99, 3 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)-5,5-dimethyl-N-propan-2-ylthian-3-amine is sourced from PubChem (CID 79947622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).