5-N-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine

C13H14ClN3S — CID 103363284

IUPAC5-N-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCc2ccc(Cl)cc2)c1C1CC1
InChIInChI=1S/C13H14ClN3S/c14-10-5-1-8(2-6-10)7-16-13-11(9-3-4-9)12(15)17-18-13/h1-2,5-6,9,16H,3-4,7H2,(H2,15,17)
InChIKeyQWMVXXAHBYEEER-UHFFFAOYSA-N
MW279.80 g/mol
LogP3.87
Rot. Bonds4

About 5-N-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine

5-N-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine (PubChem CID 103363284) has the molecular formula C13H14ClN3S and a molecular weight of 279.80 g/mol. Its IUPAC name is 5-N-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine
PubChem CID103363284
Molecular FormulaC13H14ClN3S
Molecular Weight279.80 g/mol
Exact Mass279.06
IUPAC Name5-N-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCc2ccc(Cl)cc2)c1C1CC1
InChIInChI=1S/C13H14ClN3S/c14-10-5-1-8(2-6-10)7-16-13-11(9-3-4-9)12(15)17-18-13/h1-2,5-6,9,16H,3-4,7H2,(H2,15,17)
InChIKeyQWMVXXAHBYEEER-UHFFFAOYSA-N
XLogP3.87
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.80
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103359522
4-cyclopropyl-5-N-[(3,4-difluorophenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103360173
4-cyclopropyl-5-N-[(2-methylphenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103364183
4-cyclopropyl-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103361684
5-N-(2-cyclobutylethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103365365
6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol
CID 114009580
1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]propan-2-ol
CID 103363978
4-cyclopropyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
CID 103361026
4-cyclopropyl-5-N-[2-(1H-imidazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103359872
4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103361131
4-cyclopropyl-5-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2-thiazole-3,5-diamine
CID 103364521
4-cyclopropyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine
CID 103365384

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine (CID 103363284) is 5-N-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine is Nc1nsc(NCc2ccc(Cl)cc2)c1C1CC1.
What is the InChIKey of 5-N-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine?
The InChIKey is QWMVXXAHBYEEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3S/c14-10-5-1-8(2-6-10)7-16-13-11(9-3-4-9)12(15)17-18-13/h1-2,5-6,9,16H,3-4,7H2,(H2,15,17).
What are the key properties of 5-N-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine?
5-N-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine has a molecular weight of 279.80 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).