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

C15H24N4S2 — CID 103381435

IUPAC5-N,5-N-dibutyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
SMILESCCCCN(CCCC)c1snc(N)c1-c1csc(C)n1
InChIInChI=1S/C15H24N4S2/c1-4-6-8-19(9-7-5-2)15-13(14(16)18-21-15)12-10-20-11(3)17-12/h10H,4-9H2,1-3H3,(H2,16,18)
InChIKeyUZKFGFQUGCNAIH-UHFFFAOYSA-N
MW324.52 g/mol
LogP4.56
Rot. Bonds8

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

5-N,5-N-dibutyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103381435) has the molecular formula C15H24N4S2 and a molecular weight of 324.52 g/mol. Its IUPAC name is 5-N,5-N-dibutyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N,5-N-dibutyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
PubChem CID103381435
Molecular FormulaC15H24N4S2
Molecular Weight324.52 g/mol
Exact Mass324.14
IUPAC Name5-N,5-N-dibutyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
SMILESCCCCN(CCCC)c1snc(N)c1-c1csc(C)n1
InChIInChI=1S/C15H24N4S2/c1-4-6-8-19(9-7-5-2)15-13(14(16)18-21-15)12-10-20-11(3)17-12/h10H,4-9H2,1-3H3,(H2,16,18)
InChIKeyUZKFGFQUGCNAIH-UHFFFAOYSA-N
XLogP4.56
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-dibutyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N,5-N-dibutyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine (CID 103381435) is 5-N,5-N-dibutyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N,5-N-dibutyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N,5-N-dibutyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine is CCCCN(CCCC)c1snc(N)c1-c1csc(C)n1.
What is the InChIKey of 5-N,5-N-dibutyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is UZKFGFQUGCNAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S2/c1-4-6-8-19(9-7-5-2)15-13(14(16)18-21-15)12-10-20-11(3)17-12/h10H,4-9H2,1-3H3,(H2,16,18).
What are the key properties of 5-N,5-N-dibutyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine?
5-N,5-N-dibutyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 324.52 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-dibutyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103381435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).