[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine

C10H9ClN2S — CID 3299475

IUPAC[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C10H9ClN2S/c11-8-3-1-7(2-4-8)9-6-14-10(5-12)13-9/h1-4,6H,5,12H2
InChIKeyDSXWLWCFGZLTAR-UHFFFAOYSA-N
MW224.72 g/mol
LogP2.92
Rot. Bonds2

About [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine

[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 3299475) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
PubChem CID3299475
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C10H9ClN2S/c11-8-3-1-7(2-4-8)9-6-14-10(5-12)13-9/h1-4,6H,5,12H2
InChIKeyDSXWLWCFGZLTAR-UHFFFAOYSA-N
XLogP2.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464
4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole
CID 94281736
4-(4-chlorophenyl)-2-(ethoxymethyl)-1,3-thiazole
CID 167790638
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
CID 1482059
2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol
CID 177213741
4-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]aniline
CID 66144973
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol
CID 82123236
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 82103307
[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine
CID 82280712
[4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 66380335
[4-[4-(1-adamantyl)phenyl]-1,3-thiazol-2-yl]methanamine;hydrobromide
CID 162671953
[4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 171380508

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine (CID 3299475) is [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine is NCc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is DSXWLWCFGZLTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c11-8-3-1-7(2-4-8)9-6-14-10(5-12)13-9/h1-4,6H,5,12H2.
What are the key properties of [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine?
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 224.72 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 3299475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).