4-cyclopropyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine

C10H17N3S2 — CID 103365384

IUPAC4-cyclopropyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine
SMILESCSC(C)CNc1snc(N)c1C1CC1
InChIInChI=1S/C10H17N3S2/c1-6(14-2)5-12-10-8(7-3-4-7)9(11)13-15-10/h6-7,12H,3-5H2,1-2H3,(H2,11,13)
InChIKeyXCOKLIZCIMNRGZ-UHFFFAOYSA-N
MW243.40 g/mol
LogP2.77
Rot. Bonds5

About 4-cyclopropyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine

4-cyclopropyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103365384) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine
PubChem CID103365384
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC Name4-cyclopropyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine
SMILESCSC(C)CNc1snc(N)c1C1CC1
InChIInChI=1S/C10H17N3S2/c1-6(14-2)5-12-10-8(7-3-4-7)9(11)13-15-10/h6-7,12H,3-5H2,1-2H3,(H2,11,13)
InChIKeyXCOKLIZCIMNRGZ-UHFFFAOYSA-N
XLogP2.77
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine (CID 103365384) is 4-cyclopropyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine is CSC(C)CNc1snc(N)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is XCOKLIZCIMNRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c1-6(14-2)5-12-10-8(7-3-4-7)9(11)13-15-10/h6-7,12H,3-5H2,1-2H3,(H2,11,13).
What are the key properties of 4-cyclopropyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 243.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).