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

C14H15ClN2S — CID 62065732

IUPAC5-[(3-chloro-4-methylphenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine
SMILESCc1ccc(Cc2sc(N)nc2C2CC2)cc1Cl
InChIInChI=1S/C14H15ClN2S/c1-8-2-3-9(6-11(8)15)7-12-13(10-4-5-10)17-14(16)18-12/h2-3,6,10H,4-5,7H2,1H3,(H2,16,17)
InChIKeyYRXOATMLAAKCLI-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.16
Rot. Bonds3

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

5-[(3-chloro-4-methylphenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine (PubChem CID 62065732) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 5-[(3-chloro-4-methylphenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-chloro-4-methylphenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine
PubChem CID62065732
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name5-[(3-chloro-4-methylphenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine
SMILESCc1ccc(Cc2sc(N)nc2C2CC2)cc1Cl
InChIInChI=1S/C14H15ClN2S/c1-8-2-3-9(6-11(8)15)7-12-13(10-4-5-10)17-14(16)18-12/h2-3,6,10H,4-5,7H2,1H3,(H2,16,17)
InChIKeyYRXOATMLAAKCLI-UHFFFAOYSA-N
XLogP4.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-methylphenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-chloro-4-methylphenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine (CID 62065732) is 5-[(3-chloro-4-methylphenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-chloro-4-methylphenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-chloro-4-methylphenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine is Cc1ccc(Cc2sc(N)nc2C2CC2)cc1Cl.
What is the InChIKey of 5-[(3-chloro-4-methylphenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine?
The InChIKey is YRXOATMLAAKCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c1-8-2-3-9(6-11(8)15)7-12-13(10-4-5-10)17-14(16)18-12/h2-3,6,10H,4-5,7H2,1H3,(H2,16,17).
What are the key properties of 5-[(3-chloro-4-methylphenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine?
5-[(3-chloro-4-methylphenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine has a molecular weight of 278.81 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-methylphenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62065732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).