5-N-butyl-5-N-cyclopropyl-4-methyl-1,2-thiazole-3,5-diamine

C11H19N3S — CID 103360824

IUPAC5-N-butyl-5-N-cyclopropyl-4-methyl-1,2-thiazole-3,5-diamine
SMILESCCCCN(c1snc(N)c1C)C1CC1
InChIInChI=1S/C11H19N3S/c1-3-4-7-14(9-5-6-9)11-8(2)10(12)13-15-11/h9H,3-7H2,1-2H3,(H2,12,13)
InChIKeyPIDLZYSEISCGAU-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.80
Rot. Bonds5

About 5-N-butyl-5-N-cyclopropyl-4-methyl-1,2-thiazole-3,5-diamine

5-N-butyl-5-N-cyclopropyl-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103360824) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 5-N-butyl-5-N-cyclopropyl-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-butyl-5-N-cyclopropyl-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID103360824
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name5-N-butyl-5-N-cyclopropyl-4-methyl-1,2-thiazole-3,5-diamine
SMILESCCCCN(c1snc(N)c1C)C1CC1
InChIInChI=1S/C11H19N3S/c1-3-4-7-14(9-5-6-9)11-8(2)10(12)13-15-11/h9H,3-7H2,1-2H3,(H2,12,13)
InChIKeyPIDLZYSEISCGAU-UHFFFAOYSA-N
XLogP2.80
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-butyl-5-N-cyclopropyl-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-butyl-5-N-cyclopropyl-4-methyl-1,2-thiazole-3,5-diamine (CID 103360824) is 5-N-butyl-5-N-cyclopropyl-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-butyl-5-N-cyclopropyl-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-butyl-5-N-cyclopropyl-4-methyl-1,2-thiazole-3,5-diamine is CCCCN(c1snc(N)c1C)C1CC1.
What is the InChIKey of 5-N-butyl-5-N-cyclopropyl-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is PIDLZYSEISCGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-4-7-14(9-5-6-9)11-8(2)10(12)13-15-11/h9H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 5-N-butyl-5-N-cyclopropyl-4-methyl-1,2-thiazole-3,5-diamine?
5-N-butyl-5-N-cyclopropyl-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 225.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butyl-5-N-cyclopropyl-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).