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

C14H16ClN3S — CID 103359522

IUPAC5-N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCc2ccc(Cl)cc2)c1C1CC1
InChIInChI=1S/C14H16ClN3S/c15-11-5-1-9(2-6-11)7-8-17-14-12(10-3-4-10)13(16)18-19-14/h1-2,5-6,10,17H,3-4,7-8H2,(H2,16,18)
InChIKeyRURVHYVSPNJKRK-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.91
Rot. Bonds5

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

5-N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine (PubChem CID 103359522) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 5-N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine
PubChem CID103359522
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name5-N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCc2ccc(Cl)cc2)c1C1CC1
InChIInChI=1S/C14H16ClN3S/c15-11-5-1-9(2-6-11)7-8-17-14-12(10-3-4-10)13(16)18-19-14/h1-2,5-6,10,17H,3-4,7-8H2,(H2,16,18)
InChIKeyRURVHYVSPNJKRK-UHFFFAOYSA-N
XLogP3.91
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103363284
4-cyclopropyl-5-N-[(3,4-difluorophenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103360173
N-[2-(4-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65276986
4-cyclopropyl-5-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2-thiazole-3,5-diamine
CID 103364521
5-N-(2-cyclobutylethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103365365
4-cyclopropyl-5-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
CID 103361091
6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol
CID 114009580
4-cyclopropyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
CID 103361026
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
3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide
CID 103382534
4-methyl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103364171

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine (CID 103359522) is 5-N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine is Nc1nsc(NCCc2ccc(Cl)cc2)c1C1CC1.
What is the InChIKey of 5-N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine?
The InChIKey is RURVHYVSPNJKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c15-11-5-1-9(2-6-11)7-8-17-14-12(10-3-4-10)13(16)18-19-14/h1-2,5-6,10,17H,3-4,7-8H2,(H2,16,18).
What are the key properties of 5-N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine?
5-N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine has a molecular weight of 293.82 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).