4-cyclopropyl-5-N-pentan-3-yl-1,2-thiazole-3,5-diamine

C11H19N3S — CID 103363365

IUPAC4-cyclopropyl-5-N-pentan-3-yl-1,2-thiazole-3,5-diamine
SMILESCCC(CC)Nc1snc(N)c1C1CC1
InChIInChI=1S/C11H19N3S/c1-3-8(4-2)13-11-9(7-5-6-7)10(12)14-15-11/h7-8,13H,3-6H2,1-2H3,(H2,12,14)
InChIKeyJHFDCUBTIFPGFW-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.20
Rot. Bonds5

About 4-cyclopropyl-5-N-pentan-3-yl-1,2-thiazole-3,5-diamine

4-cyclopropyl-5-N-pentan-3-yl-1,2-thiazole-3,5-diamine (PubChem CID 103363365) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-pentan-3-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-pentan-3-yl-1,2-thiazole-3,5-diamine
PubChem CID103363365
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name4-cyclopropyl-5-N-pentan-3-yl-1,2-thiazole-3,5-diamine
SMILESCCC(CC)Nc1snc(N)c1C1CC1
InChIInChI=1S/C11H19N3S/c1-3-8(4-2)13-11-9(7-5-6-7)10(12)14-15-11/h7-8,13H,3-6H2,1-2H3,(H2,12,14)
InChIKeyJHFDCUBTIFPGFW-UHFFFAOYSA-N
XLogP3.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-pentan-3-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-pentan-3-yl-1,2-thiazole-3,5-diamine (CID 103363365) is 4-cyclopropyl-5-N-pentan-3-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-pentan-3-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-pentan-3-yl-1,2-thiazole-3,5-diamine is CCC(CC)Nc1snc(N)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-pentan-3-yl-1,2-thiazole-3,5-diamine?
The InChIKey is JHFDCUBTIFPGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-8(4-2)13-11-9(7-5-6-7)10(12)14-15-11/h7-8,13H,3-6H2,1-2H3,(H2,12,14).
What are the key properties of 4-cyclopropyl-5-N-pentan-3-yl-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-pentan-3-yl-1,2-thiazole-3,5-diamine has a molecular weight of 225.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-pentan-3-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).