3-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1,3-diamine

C9H15N3S — CID 79462024

IUPAC3-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1,3-diamine
SMILESNC1CCC(NCc2nccs2)C1
InChIInChI=1S/C9H15N3S/c10-7-1-2-8(5-7)12-6-9-11-3-4-13-9/h3-4,7-8,12H,1-2,5-6,10H2
InChIKeyCFJHMZFYLPLRNW-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.11
Rot. Bonds3

About 3-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1,3-diamine

3-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1,3-diamine (PubChem CID 79462024) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 3-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1,3-diamine
PubChem CID79462024
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name3-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1,3-diamine
SMILESNC1CCC(NCc2nccs2)C1
InChIInChI=1S/C9H15N3S/c10-7-1-2-8(5-7)12-6-9-11-3-4-13-9/h3-4,7-8,12H,1-2,5-6,10H2
InChIKeyCFJHMZFYLPLRNW-UHFFFAOYSA-N
XLogP1.11
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1,3-diamine (CID 79462024) is 3-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1,3-diamine is NC1CCC(NCc2nccs2)C1.
What is the InChIKey of 3-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1,3-diamine?
The InChIKey is CFJHMZFYLPLRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c10-7-1-2-8(5-7)12-6-9-11-3-4-13-9/h3-4,7-8,12H,1-2,5-6,10H2.
What are the key properties of 3-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1,3-diamine?
3-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1,3-diamine has a molecular weight of 197.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79462024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).