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

C15H19N3S — CID 103361139

IUPAC4-cyclopropyl-5-N-(1-phenylpropan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCC(Cc1ccccc1)Nc1snc(N)c1C1CC1
InChIInChI=1S/C15H19N3S/c1-10(9-11-5-3-2-4-6-11)17-15-13(12-7-8-12)14(16)18-19-15/h2-6,10,12,17H,7-9H2,1H3,(H2,16,18)
InChIKeyKRNWNHMKYLZRPX-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.65
Rot. Bonds5

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

4-cyclopropyl-5-N-(1-phenylpropan-2-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103361139) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-(1-phenylpropan-2-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-(1-phenylpropan-2-yl)-1,2-thiazole-3,5-diamine
PubChem CID103361139
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name4-cyclopropyl-5-N-(1-phenylpropan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCC(Cc1ccccc1)Nc1snc(N)c1C1CC1
InChIInChI=1S/C15H19N3S/c1-10(9-11-5-3-2-4-6-11)17-15-13(12-7-8-12)14(16)18-19-15/h2-6,10,12,17H,7-9H2,1H3,(H2,16,18)
InChIKeyKRNWNHMKYLZRPX-UHFFFAOYSA-N
XLogP3.65
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.65
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-(1-phenylpropan-2-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-(1-phenylpropan-2-yl)-1,2-thiazole-3,5-diamine (CID 103361139) is 4-cyclopropyl-5-N-(1-phenylpropan-2-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-(1-phenylpropan-2-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-(1-phenylpropan-2-yl)-1,2-thiazole-3,5-diamine is CC(Cc1ccccc1)Nc1snc(N)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-(1-phenylpropan-2-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is KRNWNHMKYLZRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10(9-11-5-3-2-4-6-11)17-15-13(12-7-8-12)14(16)18-19-15/h2-6,10,12,17H,7-9H2,1H3,(H2,16,18).
What are the key properties of 4-cyclopropyl-5-N-(1-phenylpropan-2-yl)-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-(1-phenylpropan-2-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 273.40 g/mol, XLogP of 3.65, 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-(1-phenylpropan-2-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).