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

C12H20N4S — CID 103361091

IUPAC4-cyclopropyl-5-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
SMILESCN(CCNc1snc(N)c1C1CC1)C1CC1
InChIInChI=1S/C12H20N4S/c1-16(9-4-5-9)7-6-14-12-10(8-2-3-8)11(13)15-17-12/h8-9,14H,2-7H2,1H3,(H2,13,15)
InChIKeyXHWYYAVJJVWCFE-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.11
Rot. Bonds6

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

4-cyclopropyl-5-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103361091) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103361091
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name4-cyclopropyl-5-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
SMILESCN(CCNc1snc(N)c1C1CC1)C1CC1
InChIInChI=1S/C12H20N4S/c1-16(9-4-5-9)7-6-14-12-10(8-2-3-8)11(13)15-17-12/h8-9,14H,2-7H2,1H3,(H2,13,15)
InChIKeyXHWYYAVJJVWCFE-UHFFFAOYSA-N
XLogP2.11
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.11
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-[cyclopropyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine (CID 103361091) is 4-cyclopropyl-5-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine is CN(CCNc1snc(N)c1C1CC1)C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is XHWYYAVJJVWCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-16(9-4-5-9)7-6-14-12-10(8-2-3-8)11(13)15-17-12/h8-9,14H,2-7H2,1H3,(H2,13,15).
What are the key properties of 4-cyclopropyl-5-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 252.39 g/mol, XLogP of 2.11, 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-[cyclopropyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).