4-cyclopropyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine

C14H24N4S — CID 103359193

IUPAC4-cyclopropyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
SMILESCC(CNc1snc(N)c1C1CC1)N1CCCCC1
InChIInChI=1S/C14H24N4S/c1-10(18-7-3-2-4-8-18)9-16-14-12(11-5-6-11)13(15)17-19-14/h10-11,16H,2-9H2,1H3,(H2,15,17)
InChIKeyBWHRRPKKELNXEY-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.89
Rot. Bonds5

About 4-cyclopropyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine

4-cyclopropyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103359193) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
PubChem CID103359193
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name4-cyclopropyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
SMILESCC(CNc1snc(N)c1C1CC1)N1CCCCC1
InChIInChI=1S/C14H24N4S/c1-10(18-7-3-2-4-8-18)9-16-14-12(11-5-6-11)13(15)17-19-14/h10-11,16H,2-9H2,1H3,(H2,15,17)
InChIKeyBWHRRPKKELNXEY-UHFFFAOYSA-N
XLogP2.89
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.89
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-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine (CID 103359193) is 4-cyclopropyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine is CC(CNc1snc(N)c1C1CC1)N1CCCCC1.
What is the InChIKey of 4-cyclopropyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is BWHRRPKKELNXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-10(18-7-3-2-4-8-18)9-16-14-12(11-5-6-11)13(15)17-19-14/h10-11,16H,2-9H2,1H3,(H2,15,17).
What are the key properties of 4-cyclopropyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 280.44 g/mol, XLogP of 2.89, 5 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-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).