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

C13H13ClN2S — CID 47003342

IUPAC5-[(2-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine
SMILESNc1nc(C2CC2)c(Cc2ccccc2Cl)s1
InChIInChI=1S/C13H13ClN2S/c14-10-4-2-1-3-9(10)7-11-12(8-5-6-8)16-13(15)17-11/h1-4,8H,5-7H2,(H2,15,16)
InChIKeyCXYYFBAVWMTNBT-UHFFFAOYSA-N
MW264.78 g/mol
LogP3.85
Rot. Bonds3

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

5-[(2-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine (PubChem CID 47003342) has the molecular formula C13H13ClN2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine
PubChem CID47003342
Molecular FormulaC13H13ClN2S
Molecular Weight264.78 g/mol
Exact Mass264.05
IUPAC Name5-[(2-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine
SMILESNc1nc(C2CC2)c(Cc2ccccc2Cl)s1
InChIInChI=1S/C13H13ClN2S/c14-10-4-2-1-3-9(10)7-11-12(8-5-6-8)16-13(15)17-11/h1-4,8H,5-7H2,(H2,15,16)
InChIKeyCXYYFBAVWMTNBT-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine (CID 47003342) is 5-[(2-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine is Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine?
The InChIKey is CXYYFBAVWMTNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S/c14-10-4-2-1-3-9(10)7-11-12(8-5-6-8)16-13(15)17-11/h1-4,8H,5-7H2,(H2,15,16).
What are the key properties of 5-[(2-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine?
5-[(2-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine has a molecular weight of 264.78 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine is sourced from PubChem (CID 47003342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).