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

C11H11ClN2OS — CID 107268113

IUPAC4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCOc1cc(NCc2cscn2)ccc1Cl
InChIInChI=1S/C11H11ClN2OS/c1-15-11-4-8(2-3-10(11)12)13-5-9-6-16-7-14-9/h2-4,6-7,13H,5H2,1H3
InChIKeyVTGANBRKYSXZDA-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.42
Rot. Bonds4

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

4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 107268113) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID107268113
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCOc1cc(NCc2cscn2)ccc1Cl
InChIInChI=1S/C11H11ClN2OS/c1-15-11-4-8(2-3-10(11)12)13-5-9-6-16-7-14-9/h2-4,6-7,13H,5H2,1H3
InChIKeyVTGANBRKYSXZDA-UHFFFAOYSA-N
XLogP3.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 107272151
3-chloro-4-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61170045
4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685427
2-chloro-5-(1,3-thiazol-4-ylmethylamino)benzonitrile
CID 60721480
4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methoxyaniline
CID 107266062
3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60687488
5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61223553
5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60687872
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 107621318
2-fluoro-4,5-dimethoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 84595025
methyl 2-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzoate
CID 61170429

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline (CID 107268113) is 4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline is COc1cc(NCc2cscn2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is VTGANBRKYSXZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-15-11-4-8(2-3-10(11)12)13-5-9-6-16-7-14-9/h2-4,6-7,13H,5H2,1H3.
What are the key properties of 4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 254.74 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 107268113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).