3-cyclopropyl-1-N,2-N-dimethyl-2-N-(1,3-thiazol-2-ylmethyl)benzene-1,2-diamine

C15H19N3S — CID 144838056

IUPAC3-cyclopropyl-1-N,2-N-dimethyl-2-N-(1,3-thiazol-2-ylmethyl)benzene-1,2-diamine
SMILESCNc1cccc(C2CC2)c1N(C)Cc1nccs1
InChIInChI=1S/C15H19N3S/c1-16-13-5-3-4-12(11-6-7-11)15(13)18(2)10-14-17-8-9-19-14/h3-5,8-9,11,16H,6-7,10H2,1-2H3
InChIKeyULFZMTVGTLQCDJ-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.70
Rot. Bonds5

About 3-cyclopropyl-1-N,2-N-dimethyl-2-N-(1,3-thiazol-2-ylmethyl)benzene-1,2-diamine

3-cyclopropyl-1-N,2-N-dimethyl-2-N-(1,3-thiazol-2-ylmethyl)benzene-1,2-diamine (PubChem CID 144838056) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 3-cyclopropyl-1-N,2-N-dimethyl-2-N-(1,3-thiazol-2-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-cyclopropyl-1-N,2-N-dimethyl-2-N-(1,3-thiazol-2-ylmethyl)benzene-1,2-diamine
PubChem CID144838056
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name3-cyclopropyl-1-N,2-N-dimethyl-2-N-(1,3-thiazol-2-ylmethyl)benzene-1,2-diamine
SMILESCNc1cccc(C2CC2)c1N(C)Cc1nccs1
InChIInChI=1S/C15H19N3S/c1-16-13-5-3-4-12(11-6-7-11)15(13)18(2)10-14-17-8-9-19-14/h3-5,8-9,11,16H,6-7,10H2,1-2H3
InChIKeyULFZMTVGTLQCDJ-UHFFFAOYSA-N
XLogP3.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-N,2-N-dimethyl-2-N-(1,3-thiazol-2-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 3-cyclopropyl-1-N,2-N-dimethyl-2-N-(1,3-thiazol-2-ylmethyl)benzene-1,2-diamine (CID 144838056) is 3-cyclopropyl-1-N,2-N-dimethyl-2-N-(1,3-thiazol-2-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 3-cyclopropyl-1-N,2-N-dimethyl-2-N-(1,3-thiazol-2-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 3-cyclopropyl-1-N,2-N-dimethyl-2-N-(1,3-thiazol-2-ylmethyl)benzene-1,2-diamine is CNc1cccc(C2CC2)c1N(C)Cc1nccs1.
What is the InChIKey of 3-cyclopropyl-1-N,2-N-dimethyl-2-N-(1,3-thiazol-2-ylmethyl)benzene-1,2-diamine?
The InChIKey is ULFZMTVGTLQCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-16-13-5-3-4-12(11-6-7-11)15(13)18(2)10-14-17-8-9-19-14/h3-5,8-9,11,16H,6-7,10H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-N,2-N-dimethyl-2-N-(1,3-thiazol-2-ylmethyl)benzene-1,2-diamine?
3-cyclopropyl-1-N,2-N-dimethyl-2-N-(1,3-thiazol-2-ylmethyl)benzene-1,2-diamine has a molecular weight of 273.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-N,2-N-dimethyl-2-N-(1,3-thiazol-2-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 144838056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).