4-[2-(aminomethyl)-6-chloro-4-(4-methoxyphenoxy)phenyl]-1,3-thiazol-2-amine

C17H16ClN3O2S — CID 174689289

IUPAC4-[2-(aminomethyl)-6-chloro-4-(4-methoxyphenoxy)phenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(Oc2cc(Cl)c(-c3csc(N)n3)c(CN)c2)cc1
InChIInChI=1S/C17H16ClN3O2S/c1-22-11-2-4-12(5-3-11)23-13-6-10(8-19)16(14(18)7-13)15-9-24-17(20)21-15/h2-7,9H,8,19H2,1H3,(H2,20,21)
InChIKeyLAVPVTKEIXTHQC-UHFFFAOYSA-N
MW361.85 g/mol
LogP4.31
Rot. Bonds5

About 4-[2-(aminomethyl)-6-chloro-4-(4-methoxyphenoxy)phenyl]-1,3-thiazol-2-amine

4-[2-(aminomethyl)-6-chloro-4-(4-methoxyphenoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 174689289) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-6-chloro-4-(4-methoxyphenoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(aminomethyl)-6-chloro-4-(4-methoxyphenoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID174689289
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC Name4-[2-(aminomethyl)-6-chloro-4-(4-methoxyphenoxy)phenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(Oc2cc(Cl)c(-c3csc(N)n3)c(CN)c2)cc1
InChIInChI=1S/C17H16ClN3O2S/c1-22-11-2-4-12(5-3-11)23-13-6-10(8-19)16(14(18)7-13)15-9-24-17(20)21-15/h2-7,9H,8,19H2,1H3,(H2,20,21)
InChIKeyLAVPVTKEIXTHQC-UHFFFAOYSA-N
XLogP4.31
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-6-chloro-4-(4-methoxyphenoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(aminomethyl)-6-chloro-4-(4-methoxyphenoxy)phenyl]-1,3-thiazol-2-amine (CID 174689289) is 4-[2-(aminomethyl)-6-chloro-4-(4-methoxyphenoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(aminomethyl)-6-chloro-4-(4-methoxyphenoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(aminomethyl)-6-chloro-4-(4-methoxyphenoxy)phenyl]-1,3-thiazol-2-amine is COc1ccc(Oc2cc(Cl)c(-c3csc(N)n3)c(CN)c2)cc1.
What is the InChIKey of 4-[2-(aminomethyl)-6-chloro-4-(4-methoxyphenoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is LAVPVTKEIXTHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-22-11-2-4-12(5-3-11)23-13-6-10(8-19)16(14(18)7-13)15-9-24-17(20)21-15/h2-7,9H,8,19H2,1H3,(H2,20,21).
What are the key properties of 4-[2-(aminomethyl)-6-chloro-4-(4-methoxyphenoxy)phenyl]-1,3-thiazol-2-amine?
4-[2-(aminomethyl)-6-chloro-4-(4-methoxyphenoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 361.85 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-6-chloro-4-(4-methoxyphenoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 174689289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).