4-cyclopropyl-5-N-methyl-5-N-(3-methylbutyl)-1,2-thiazole-3,5-diamine

C12H21N3S — CID 103361797

IUPAC4-cyclopropyl-5-N-methyl-5-N-(3-methylbutyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)CCN(C)c1snc(N)c1C1CC1
InChIInChI=1S/C12H21N3S/c1-8(2)6-7-15(3)12-10(9-4-5-9)11(13)14-16-12/h8-9H,4-7H2,1-3H3,(H2,13,14)
InChIKeyNMEJQMDREWNJGL-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.09
Rot. Bonds5

About 4-cyclopropyl-5-N-methyl-5-N-(3-methylbutyl)-1,2-thiazole-3,5-diamine

4-cyclopropyl-5-N-methyl-5-N-(3-methylbutyl)-1,2-thiazole-3,5-diamine (PubChem CID 103361797) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-methyl-5-N-(3-methylbutyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-methyl-5-N-(3-methylbutyl)-1,2-thiazole-3,5-diamine
PubChem CID103361797
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name4-cyclopropyl-5-N-methyl-5-N-(3-methylbutyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)CCN(C)c1snc(N)c1C1CC1
InChIInChI=1S/C12H21N3S/c1-8(2)6-7-15(3)12-10(9-4-5-9)11(13)14-16-12/h8-9H,4-7H2,1-3H3,(H2,13,14)
InChIKeyNMEJQMDREWNJGL-UHFFFAOYSA-N
XLogP3.09
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-methyl-5-N-(3-methylbutyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-methyl-5-N-(3-methylbutyl)-1,2-thiazole-3,5-diamine (CID 103361797) is 4-cyclopropyl-5-N-methyl-5-N-(3-methylbutyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-methyl-5-N-(3-methylbutyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-methyl-5-N-(3-methylbutyl)-1,2-thiazole-3,5-diamine is CC(C)CCN(C)c1snc(N)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-methyl-5-N-(3-methylbutyl)-1,2-thiazole-3,5-diamine?
The InChIKey is NMEJQMDREWNJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-8(2)6-7-15(3)12-10(9-4-5-9)11(13)14-16-12/h8-9H,4-7H2,1-3H3,(H2,13,14).
What are the key properties of 4-cyclopropyl-5-N-methyl-5-N-(3-methylbutyl)-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-methyl-5-N-(3-methylbutyl)-1,2-thiazole-3,5-diamine has a molecular weight of 239.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-methyl-5-N-(3-methylbutyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).