3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline

C10H9ClN2S — CID 59740767

IUPAC3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESClc1cccc(NCc2cscn2)c1
InChIInChI=1S/C10H9ClN2S/c11-8-2-1-3-9(4-8)12-5-10-6-14-7-13-10/h1-4,6-7,12H,5H2
InChIKeyLDPXQPBBZOLEBV-UHFFFAOYSA-N
MW224.72 g/mol
LogP3.41
Rot. Bonds3

About 3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline

3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 59740767) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID59740767
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESClc1cccc(NCc2cscn2)c1
InChIInChI=1S/C10H9ClN2S/c11-8-2-1-3-9(4-8)12-5-10-6-14-7-13-10/h1-4,6-7,12H,5H2
InChIKeyLDPXQPBBZOLEBV-UHFFFAOYSA-N
XLogP3.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-thiazol-4-ylmethylamino)benzonitrile
CID 60689652
3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60687488
N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]methanesulfonamide
CID 61171584
3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169274
5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696679
methyl 3-(1,3-thiazol-4-ylmethylamino)benzoate
CID 60690780
4-chloro-2-N-(1,3-thiazol-4-ylmethyl)benzene-1,2-diamine
CID 115468994
2-chloro-5-(1,3-thiazol-4-ylmethylamino)benzonitrile
CID 60721480
4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107268113
1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 110284890
3-(2-methoxyethoxymethyl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61171806
3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 99834704

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline (CID 59740767) is 3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline is Clc1cccc(NCc2cscn2)c1.
What is the InChIKey of 3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is LDPXQPBBZOLEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c11-8-2-1-3-9(4-8)12-5-10-6-14-7-13-10/h1-4,6-7,12H,5H2.
What are the key properties of 3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline?
3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 224.72 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 59740767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).