4-(2-methyl-1,3-thiazol-4-yl)-5-N,5-N-dipropyl-1,2-thiazole-3,5-diamine

C13H20N4S2 — CID 103381183

IUPAC4-(2-methyl-1,3-thiazol-4-yl)-5-N,5-N-dipropyl-1,2-thiazole-3,5-diamine
SMILESCCCN(CCC)c1snc(N)c1-c1csc(C)n1
InChIInChI=1S/C13H20N4S2/c1-4-6-17(7-5-2)13-11(12(14)16-19-13)10-8-18-9(3)15-10/h8H,4-7H2,1-3H3,(H2,14,16)
InChIKeyUUHYJASAKPCYFO-UHFFFAOYSA-N
MW296.47 g/mol
LogP3.78
Rot. Bonds6

About 4-(2-methyl-1,3-thiazol-4-yl)-5-N,5-N-dipropyl-1,2-thiazole-3,5-diamine

4-(2-methyl-1,3-thiazol-4-yl)-5-N,5-N-dipropyl-1,2-thiazole-3,5-diamine (PubChem CID 103381183) has the molecular formula C13H20N4S2 and a molecular weight of 296.47 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)-5-N,5-N-dipropyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)-5-N,5-N-dipropyl-1,2-thiazole-3,5-diamine
PubChem CID103381183
Molecular FormulaC13H20N4S2
Molecular Weight296.47 g/mol
Exact Mass296.11
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)-5-N,5-N-dipropyl-1,2-thiazole-3,5-diamine
SMILESCCCN(CCC)c1snc(N)c1-c1csc(C)n1
InChIInChI=1S/C13H20N4S2/c1-4-6-17(7-5-2)13-11(12(14)16-19-13)10-8-18-9(3)15-10/h8H,4-7H2,1-3H3,(H2,14,16)
InChIKeyUUHYJASAKPCYFO-UHFFFAOYSA-N
XLogP3.78
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-5-N,5-N-dipropyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-5-N,5-N-dipropyl-1,2-thiazole-3,5-diamine (CID 103381183) is 4-(2-methyl-1,3-thiazol-4-yl)-5-N,5-N-dipropyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)-5-N,5-N-dipropyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)-5-N,5-N-dipropyl-1,2-thiazole-3,5-diamine is CCCN(CCC)c1snc(N)c1-c1csc(C)n1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)-5-N,5-N-dipropyl-1,2-thiazole-3,5-diamine?
The InChIKey is UUHYJASAKPCYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S2/c1-4-6-17(7-5-2)13-11(12(14)16-19-13)10-8-18-9(3)15-10/h8H,4-7H2,1-3H3,(H2,14,16).
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)-5-N,5-N-dipropyl-1,2-thiazole-3,5-diamine?
4-(2-methyl-1,3-thiazol-4-yl)-5-N,5-N-dipropyl-1,2-thiazole-3,5-diamine has a molecular weight of 296.47 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-4-yl)-5-N,5-N-dipropyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103381183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).