4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methoxyaniline

C13H15ClN2OS — CID 107266062

IUPAC4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methoxyaniline
SMILESCCc1nc(CNc2ccc(Cl)c(OC)c2)cs1
InChIInChI=1S/C13H15ClN2OS/c1-3-13-16-10(8-18-13)7-15-9-4-5-11(14)12(6-9)17-2/h4-6,8,15H,3,7H2,1-2H3
InChIKeyRAWCRWCAHHWKGP-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.98
Rot. Bonds5

About 4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methoxyaniline

4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methoxyaniline (PubChem CID 107266062) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is 4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methoxyaniline
PubChem CID107266062
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methoxyaniline
SMILESCCc1nc(CNc2ccc(Cl)c(OC)c2)cs1
InChIInChI=1S/C13H15ClN2OS/c1-3-13-16-10(8-18-13)7-15-9-4-5-11(14)12(6-9)17-2/h4-6,8,15H,3,7H2,1-2H3
InChIKeyRAWCRWCAHHWKGP-UHFFFAOYSA-N
XLogP3.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4,5-trimethoxyaniline
CID 60727820
3-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-fluoroaniline
CID 115280365
4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107268113
4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 107272151
3-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline
CID 60727503
2,4,5-trichloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline
CID 62070827
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 60727721
1-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 55034636
1-(3-chloro-4-methoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111806970
3-chloro-4-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 54864080
3-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)aniline
CID 116699387
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methoxyaniline?
The IUPAC name of 4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methoxyaniline (CID 107266062) is 4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methoxyaniline.
What is the SMILES notation for 4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methoxyaniline?
The canonical SMILES for 4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methoxyaniline is CCc1nc(CNc2ccc(Cl)c(OC)c2)cs1.
What is the InChIKey of 4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methoxyaniline?
The InChIKey is RAWCRWCAHHWKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-3-13-16-10(8-18-13)7-15-9-4-5-11(14)12(6-9)17-2/h4-6,8,15H,3,7H2,1-2H3.
What are the key properties of 4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methoxyaniline?
4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methoxyaniline has a molecular weight of 282.80 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methoxyaniline is sourced from PubChem (CID 107266062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).