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

C14H25N3S — CID 114004532

IUPAC4-cyclopropyl-5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine
SMILESCCCCC(CC)CNc1snc(N)c1C1CC1
InChIInChI=1S/C14H25N3S/c1-3-5-6-10(4-2)9-16-14-12(11-7-8-11)13(15)17-18-14/h10-11,16H,3-9H2,1-2H3,(H2,15,17)
InChIKeyGAPKCCQEDCIGRL-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.23
Rot. Bonds8

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

4-cyclopropyl-5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine (PubChem CID 114004532) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine
PubChem CID114004532
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name4-cyclopropyl-5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine
SMILESCCCCC(CC)CNc1snc(N)c1C1CC1
InChIInChI=1S/C14H25N3S/c1-3-5-6-10(4-2)9-16-14-12(11-7-8-11)13(15)17-18-14/h10-11,16H,3-9H2,1-2H3,(H2,15,17)
InChIKeyGAPKCCQEDCIGRL-UHFFFAOYSA-N
XLogP4.23
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine (CID 114004532) is 4-cyclopropyl-5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine is CCCCC(CC)CNc1snc(N)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine?
The InChIKey is GAPKCCQEDCIGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-5-6-10(4-2)9-16-14-12(11-7-8-11)13(15)17-18-14/h10-11,16H,3-9H2,1-2H3,(H2,15,17).
What are the key properties of 4-cyclopropyl-5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine has a molecular weight of 267.44 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 114004532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).