4-cyclopropyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine

C11H20N4S — CID 103361026

IUPAC4-cyclopropyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
SMILESCCN(C)CCNc1snc(N)c1C1CC1
InChIInChI=1S/C11H20N4S/c1-3-15(2)7-6-13-11-9(8-4-5-8)10(12)14-16-11/h8,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyRVIWNMJPDKHSMZ-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.97
Rot. Bonds6

About 4-cyclopropyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine

4-cyclopropyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103361026) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103361026
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name4-cyclopropyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
SMILESCCN(C)CCNc1snc(N)c1C1CC1
InChIInChI=1S/C11H20N4S/c1-3-15(2)7-6-13-11-9(8-4-5-8)10(12)14-16-11/h8,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyRVIWNMJPDKHSMZ-UHFFFAOYSA-N
XLogP1.97
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.97
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-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine (CID 103361026) is 4-cyclopropyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine is CCN(C)CCNc1snc(N)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is RVIWNMJPDKHSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-3-15(2)7-6-13-11-9(8-4-5-8)10(12)14-16-11/h8,13H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 4-cyclopropyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 240.38 g/mol, XLogP of 1.97, 6 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-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).