4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-N-phenylaniline;hydrochloride

C17H18ClN3S — CID 67215069

IUPAC4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-N-phenylaniline;hydrochloride
SMILESCNCc1nc(-c2ccc(Nc3ccccc3)cc2)cs1.Cl
InChIInChI=1S/C17H17N3S.ClH/c1-18-11-17-20-16(12-21-17)13-7-9-15(10-8-13)19-14-5-3-2-4-6-14;/h2-10,12,18-19H,11H2,1H3;1H
InChIKeyFHUIVPNNIPIAKP-UHFFFAOYSA-N
MW331.87 g/mol
LogP4.69
Rot. Bonds5

About 4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-N-phenylaniline;hydrochloride

4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-N-phenylaniline;hydrochloride (PubChem CID 67215069) has the molecular formula C17H18ClN3S and a molecular weight of 331.87 g/mol. Its IUPAC name is 4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-N-phenylaniline;hydrochloride.

Molecular Properties

Compound Name4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-N-phenylaniline;hydrochloride
PubChem CID67215069
Molecular FormulaC17H18ClN3S
Molecular Weight331.87 g/mol
Exact Mass331.09
IUPAC Name4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-N-phenylaniline;hydrochloride
SMILESCNCc1nc(-c2ccc(Nc3ccccc3)cc2)cs1.Cl
InChIInChI=1S/C17H17N3S.ClH/c1-18-11-17-20-16(12-21-17)13-7-9-15(10-8-13)19-14-5-3-2-4-6-14;/h2-10,12,18-19H,11H2,1H3;1H
InChIKeyFHUIVPNNIPIAKP-UHFFFAOYSA-N
XLogP4.69
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-N-phenylaniline;hydrochloride?
The IUPAC name of 4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-N-phenylaniline;hydrochloride (CID 67215069) is 4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-N-phenylaniline;hydrochloride.
What is the SMILES notation for 4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-N-phenylaniline;hydrochloride?
The canonical SMILES for 4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-N-phenylaniline;hydrochloride is CNCc1nc(-c2ccc(Nc3ccccc3)cc2)cs1.Cl.
What is the InChIKey of 4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-N-phenylaniline;hydrochloride?
The InChIKey is FHUIVPNNIPIAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S.ClH/c1-18-11-17-20-16(12-21-17)13-7-9-15(10-8-13)19-14-5-3-2-4-6-14;/h2-10,12,18-19H,11H2,1H3;1H.
What are the key properties of 4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-N-phenylaniline;hydrochloride?
4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-N-phenylaniline;hydrochloride has a molecular weight of 331.87 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylaminomethyl)-1,3-thiazol-4-yl]-N-phenylaniline;hydrochloride is sourced from PubChem (CID 67215069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).