5-N-(cyclobutylmethyl)-5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine

C16H21N3S — CID 107403288

IUPAC5-N-(cyclobutylmethyl)-5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine
SMILESCCN(CC1CCC1)c1snc(N)c1-c1ccccc1
InChIInChI=1S/C16H21N3S/c1-2-19(11-12-7-6-8-12)16-14(15(17)18-20-16)13-9-4-3-5-10-13/h3-5,9-10,12H,2,6-8,11H2,1H3,(H2,17,18)
InChIKeyLTEOIJCDDDPPGX-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.02
Rot. Bonds5

About 5-N-(cyclobutylmethyl)-5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine

5-N-(cyclobutylmethyl)-5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine (PubChem CID 107403288) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 5-N-(cyclobutylmethyl)-5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(cyclobutylmethyl)-5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine
PubChem CID107403288
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name5-N-(cyclobutylmethyl)-5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine
SMILESCCN(CC1CCC1)c1snc(N)c1-c1ccccc1
InChIInChI=1S/C16H21N3S/c1-2-19(11-12-7-6-8-12)16-14(15(17)18-20-16)13-9-4-3-5-10-13/h3-5,9-10,12H,2,6-8,11H2,1H3,(H2,17,18)
InChIKeyLTEOIJCDDDPPGX-UHFFFAOYSA-N
XLogP4.02
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(cyclobutylmethyl)-5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(cyclobutylmethyl)-5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine (CID 107403288) is 5-N-(cyclobutylmethyl)-5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(cyclobutylmethyl)-5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(cyclobutylmethyl)-5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine is CCN(CC1CCC1)c1snc(N)c1-c1ccccc1.
What is the InChIKey of 5-N-(cyclobutylmethyl)-5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine?
The InChIKey is LTEOIJCDDDPPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-2-19(11-12-7-6-8-12)16-14(15(17)18-20-16)13-9-4-3-5-10-13/h3-5,9-10,12H,2,6-8,11H2,1H3,(H2,17,18).
What are the key properties of 5-N-(cyclobutylmethyl)-5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine?
5-N-(cyclobutylmethyl)-5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine has a molecular weight of 287.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(cyclobutylmethyl)-5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 107403288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).