5-N-cyclopentyl-5-N-ethyl-1,2-thiazole-3,5-diamine

C10H17N3S — CID 103360437

IUPAC5-N-cyclopentyl-5-N-ethyl-1,2-thiazole-3,5-diamine
SMILESCCN(c1cc(N)ns1)C1CCCC1
InChIInChI=1S/C10H17N3S/c1-2-13(8-5-3-4-6-8)10-7-9(11)12-14-10/h7-8H,2-6H2,1H3,(H2,11,12)
InChIKeyKWALEVNUIOWCPV-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.49
Rot. Bonds3

About 5-N-cyclopentyl-5-N-ethyl-1,2-thiazole-3,5-diamine

5-N-cyclopentyl-5-N-ethyl-1,2-thiazole-3,5-diamine (PubChem CID 103360437) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-N-cyclopentyl-5-N-ethyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopentyl-5-N-ethyl-1,2-thiazole-3,5-diamine
PubChem CID103360437
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name5-N-cyclopentyl-5-N-ethyl-1,2-thiazole-3,5-diamine
SMILESCCN(c1cc(N)ns1)C1CCCC1
InChIInChI=1S/C10H17N3S/c1-2-13(8-5-3-4-6-8)10-7-9(11)12-14-10/h7-8H,2-6H2,1H3,(H2,11,12)
InChIKeyKWALEVNUIOWCPV-UHFFFAOYSA-N
XLogP2.49
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopentyl-5-N-ethyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-cyclopentyl-5-N-ethyl-1,2-thiazole-3,5-diamine (CID 103360437) is 5-N-cyclopentyl-5-N-ethyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-cyclopentyl-5-N-ethyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-cyclopentyl-5-N-ethyl-1,2-thiazole-3,5-diamine is CCN(c1cc(N)ns1)C1CCCC1.
What is the InChIKey of 5-N-cyclopentyl-5-N-ethyl-1,2-thiazole-3,5-diamine?
The InChIKey is KWALEVNUIOWCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-2-13(8-5-3-4-6-8)10-7-9(11)12-14-10/h7-8H,2-6H2,1H3,(H2,11,12).
What are the key properties of 5-N-cyclopentyl-5-N-ethyl-1,2-thiazole-3,5-diamine?
5-N-cyclopentyl-5-N-ethyl-1,2-thiazole-3,5-diamine has a molecular weight of 211.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopentyl-5-N-ethyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).