5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

C15H20N4S — CID 103361291

IUPAC5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCC(C)CN(c1snc(N)c1-c1cccnc1)C1CC1
InChIInChI=1S/C15H20N4S/c1-10(2)9-19(12-5-6-12)15-13(14(16)18-20-15)11-4-3-7-17-8-11/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H2,16,18)
InChIKeyPSWCCXFDHNWLFG-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.41
Rot. Bonds5

About 5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (PubChem CID 103361291) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
PubChem CID103361291
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCC(C)CN(c1snc(N)c1-c1cccnc1)C1CC1
InChIInChI=1S/C15H20N4S/c1-10(2)9-19(12-5-6-12)15-13(14(16)18-20-15)11-4-3-7-17-8-11/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H2,16,18)
InChIKeyPSWCCXFDHNWLFG-UHFFFAOYSA-N
XLogP3.41
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (CID 103361291) is 5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is CC(C)CN(c1snc(N)c1-c1cccnc1)C1CC1.
What is the InChIKey of 5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The InChIKey is PSWCCXFDHNWLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-10(2)9-19(12-5-6-12)15-13(14(16)18-20-15)11-4-3-7-17-8-11/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H2,16,18).
What are the key properties of 5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine has a molecular weight of 288.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).