5-N-[3-(dimethylamino)propyl]-5-N-methyl-1,2-thiazole-3,5-diamine

C9H18N4S — CID 103362990

IUPAC5-N-[3-(dimethylamino)propyl]-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCN(C)CCCN(C)c1cc(N)ns1
InChIInChI=1S/C9H18N4S/c1-12(2)5-4-6-13(3)9-7-8(10)11-14-9/h7H,4-6H2,1-3H3,(H2,10,11)
InChIKeyUXOOLGSYRIBRFP-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.11
Rot. Bonds5

About 5-N-[3-(dimethylamino)propyl]-5-N-methyl-1,2-thiazole-3,5-diamine

5-N-[3-(dimethylamino)propyl]-5-N-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103362990) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is 5-N-[3-(dimethylamino)propyl]-5-N-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[3-(dimethylamino)propyl]-5-N-methyl-1,2-thiazole-3,5-diamine
PubChem CID103362990
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC Name5-N-[3-(dimethylamino)propyl]-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCN(C)CCCN(C)c1cc(N)ns1
InChIInChI=1S/C9H18N4S/c1-12(2)5-4-6-13(3)9-7-8(10)11-14-9/h7H,4-6H2,1-3H3,(H2,10,11)
InChIKeyUXOOLGSYRIBRFP-UHFFFAOYSA-N
XLogP1.11
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[3-(dimethylamino)propyl]-5-N-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[3-(dimethylamino)propyl]-5-N-methyl-1,2-thiazole-3,5-diamine (CID 103362990) is 5-N-[3-(dimethylamino)propyl]-5-N-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[3-(dimethylamino)propyl]-5-N-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[3-(dimethylamino)propyl]-5-N-methyl-1,2-thiazole-3,5-diamine is CN(C)CCCN(C)c1cc(N)ns1.
What is the InChIKey of 5-N-[3-(dimethylamino)propyl]-5-N-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is UXOOLGSYRIBRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-12(2)5-4-6-13(3)9-7-8(10)11-14-9/h7H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of 5-N-[3-(dimethylamino)propyl]-5-N-methyl-1,2-thiazole-3,5-diamine?
5-N-[3-(dimethylamino)propyl]-5-N-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 214.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-(dimethylamino)propyl]-5-N-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103362990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).