4-cyclopropyl-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine

C13H12Cl2N2S — CID 62065197

IUPAC4-cyclopropyl-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(C2CC2)c(Cc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C13H12Cl2N2S/c14-9-3-4-10(15)8(5-9)6-11-12(7-1-2-7)17-13(16)18-11/h3-5,7H,1-2,6H2,(H2,16,17)
InChIKeyZIZXYCAKMBMIPF-UHFFFAOYSA-N
MW299.23 g/mol
LogP4.50
Rot. Bonds3

About 4-cyclopropyl-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine

4-cyclopropyl-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 62065197) has the molecular formula C13H12Cl2N2S and a molecular weight of 299.23 g/mol. Its IUPAC name is 4-cyclopropyl-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID62065197
Molecular FormulaC13H12Cl2N2S
Molecular Weight299.23 g/mol
Exact Mass298.01
IUPAC Name4-cyclopropyl-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(C2CC2)c(Cc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C13H12Cl2N2S/c14-9-3-4-10(15)8(5-9)6-11-12(7-1-2-7)17-13(16)18-11/h3-5,7H,1-2,6H2,(H2,16,17)
InChIKeyZIZXYCAKMBMIPF-UHFFFAOYSA-N
XLogP4.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-cyclopropyl-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine (CID 62065197) is 4-cyclopropyl-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine is Nc1nc(C2CC2)c(Cc2cc(Cl)ccc2Cl)s1.
What is the InChIKey of 4-cyclopropyl-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is ZIZXYCAKMBMIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2S/c14-9-3-4-10(15)8(5-9)6-11-12(7-1-2-7)17-13(16)18-11/h3-5,7H,1-2,6H2,(H2,16,17).
What are the key properties of 4-cyclopropyl-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine?
4-cyclopropyl-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 299.23 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62065197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).