2-(4-chloro-2-methoxyphenyl)-4-ethyl-N-methyl-1,3-thiazol-5-amine

C13H15ClN2OS — CID 134315658

IUPAC2-(4-chloro-2-methoxyphenyl)-4-ethyl-N-methyl-1,3-thiazol-5-amine
SMILESCCc1nc(-c2ccc(Cl)cc2OC)sc1NC
InChIInChI=1S/C13H15ClN2OS/c1-4-10-13(15-2)18-12(16-10)9-6-5-8(14)7-11(9)17-3/h5-7,15H,4H2,1-3H3
InChIKeyCYPKBYIHANEMKS-UHFFFAOYSA-N
MW282.80 g/mol
LogP4.08
Rot. Bonds4

About 2-(4-chloro-2-methoxyphenyl)-4-ethyl-N-methyl-1,3-thiazol-5-amine

2-(4-chloro-2-methoxyphenyl)-4-ethyl-N-methyl-1,3-thiazol-5-amine (PubChem CID 134315658) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenyl)-4-ethyl-N-methyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenyl)-4-ethyl-N-methyl-1,3-thiazol-5-amine
PubChem CID134315658
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name2-(4-chloro-2-methoxyphenyl)-4-ethyl-N-methyl-1,3-thiazol-5-amine
SMILESCCc1nc(-c2ccc(Cl)cc2OC)sc1NC
InChIInChI=1S/C13H15ClN2OS/c1-4-10-13(15-2)18-12(16-10)9-6-5-8(14)7-11(9)17-3/h5-7,15H,4H2,1-3H3
InChIKeyCYPKBYIHANEMKS-UHFFFAOYSA-N
XLogP4.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenyl)-4-ethyl-N-methyl-1,3-thiazol-5-amine?
The IUPAC name of 2-(4-chloro-2-methoxyphenyl)-4-ethyl-N-methyl-1,3-thiazol-5-amine (CID 134315658) is 2-(4-chloro-2-methoxyphenyl)-4-ethyl-N-methyl-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenyl)-4-ethyl-N-methyl-1,3-thiazol-5-amine?
The canonical SMILES for 2-(4-chloro-2-methoxyphenyl)-4-ethyl-N-methyl-1,3-thiazol-5-amine is CCc1nc(-c2ccc(Cl)cc2OC)sc1NC.
What is the InChIKey of 2-(4-chloro-2-methoxyphenyl)-4-ethyl-N-methyl-1,3-thiazol-5-amine?
The InChIKey is CYPKBYIHANEMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-4-10-13(15-2)18-12(16-10)9-6-5-8(14)7-11(9)17-3/h5-7,15H,4H2,1-3H3.
What are the key properties of 2-(4-chloro-2-methoxyphenyl)-4-ethyl-N-methyl-1,3-thiazol-5-amine?
2-(4-chloro-2-methoxyphenyl)-4-ethyl-N-methyl-1,3-thiazol-5-amine has a molecular weight of 282.80 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenyl)-4-ethyl-N-methyl-1,3-thiazol-5-amine is sourced from PubChem (CID 134315658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).