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

C14H14Cl2N2S — CID 104727925

IUPAC4-cyclopropyl-5-[(2,5-dichloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1cc(Cl)c(Cc2sc(N)nc2C2CC2)cc1Cl
InChIInChI=1S/C14H14Cl2N2S/c1-7-4-11(16)9(5-10(7)15)6-12-13(8-2-3-8)18-14(17)19-12/h4-5,8H,2-3,6H2,1H3,(H2,17,18)
InChIKeyBAGJDODQSMPYLI-UHFFFAOYSA-N
MW313.25 g/mol
LogP4.81
Rot. Bonds3

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

4-cyclopropyl-5-[(2,5-dichloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 104727925) has the molecular formula C14H14Cl2N2S and a molecular weight of 313.25 g/mol. Its IUPAC name is 4-cyclopropyl-5-[(2,5-dichloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-[(2,5-dichloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID104727925
Molecular FormulaC14H14Cl2N2S
Molecular Weight313.25 g/mol
Exact Mass312.03
IUPAC Name4-cyclopropyl-5-[(2,5-dichloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1cc(Cl)c(Cc2sc(N)nc2C2CC2)cc1Cl
InChIInChI=1S/C14H14Cl2N2S/c1-7-4-11(16)9(5-10(7)15)6-12-13(8-2-3-8)18-14(17)19-12/h4-5,8H,2-3,6H2,1H3,(H2,17,18)
InChIKeyBAGJDODQSMPYLI-UHFFFAOYSA-N
XLogP4.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 54.81
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-dichloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-cyclopropyl-5-[(2,5-dichloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine (CID 104727925) is 4-cyclopropyl-5-[(2,5-dichloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-5-[(2,5-dichloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-5-[(2,5-dichloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine is Cc1cc(Cl)c(Cc2sc(N)nc2C2CC2)cc1Cl.
What is the InChIKey of 4-cyclopropyl-5-[(2,5-dichloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is BAGJDODQSMPYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2S/c1-7-4-11(16)9(5-10(7)15)6-12-13(8-2-3-8)18-14(17)19-12/h4-5,8H,2-3,6H2,1H3,(H2,17,18).
What are the key properties of 4-cyclopropyl-5-[(2,5-dichloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine?
4-cyclopropyl-5-[(2,5-dichloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 313.25 g/mol, XLogP of 4.81, 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-dichloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 104727925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).