2-cyclopropyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine

C10H16N2S2 — CID 116504998

IUPAC2-cyclopropyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine
SMILESCCSCCc1nc(C2CC2)sc1N
InChIInChI=1S/C10H16N2S2/c1-2-13-6-5-8-9(11)14-10(12-8)7-3-4-7/h7H,2-6,11H2,1H3
InChIKeyQHLHIQSMEWDQRI-UHFFFAOYSA-N
MW228.39 g/mol
LogP2.90
Rot. Bonds5

About 2-cyclopropyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine

2-cyclopropyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine (PubChem CID 116504998) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine
PubChem CID116504998
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC Name2-cyclopropyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine
SMILESCCSCCc1nc(C2CC2)sc1N
InChIInChI=1S/C10H16N2S2/c1-2-13-6-5-8-9(11)14-10(12-8)7-3-4-7/h7H,2-6,11H2,1H3
InChIKeyQHLHIQSMEWDQRI-UHFFFAOYSA-N
XLogP2.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-cyclopropyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine (CID 116504998) is 2-cyclopropyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-cyclopropyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine is CCSCCc1nc(C2CC2)sc1N.
What is the InChIKey of 2-cyclopropyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine?
The InChIKey is QHLHIQSMEWDQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-2-13-6-5-8-9(11)14-10(12-8)7-3-4-7/h7H,2-6,11H2,1H3.
What are the key properties of 2-cyclopropyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine?
2-cyclopropyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine has a molecular weight of 228.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 116504998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).