4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline

C10H10ClN3OS — CID 107272151

IUPAC4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline
SMILESCOc1cc(NCc2csnn2)ccc1Cl
InChIInChI=1S/C10H10ClN3OS/c1-15-10-4-7(2-3-9(10)11)12-5-8-6-16-14-13-8/h2-4,6,12H,5H2,1H3
InChIKeyJBMLYOLTUQHBGA-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.81
Rot. Bonds4

About 4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline

4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 107272151) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID107272151
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline
SMILESCOc1cc(NCc2csnn2)ccc1Cl
InChIInChI=1S/C10H10ClN3OS/c1-15-10-4-7(2-3-9(10)11)12-5-8-6-16-14-13-8/h2-4,6,12H,5H2,1H3
InChIKeyJBMLYOLTUQHBGA-UHFFFAOYSA-N
XLogP2.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663833
3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663810
4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107268113
4-methoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663944
3,4-dimethyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663904
4-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methoxyaniline
CID 107266062
3,5-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663863
2,4-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663822
2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663808
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
4-bromo-2-methoxy-6-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 54864304

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline (CID 107272151) is 4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline is COc1cc(NCc2csnn2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is JBMLYOLTUQHBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c1-15-10-4-7(2-3-9(10)11)12-5-8-6-16-14-13-8/h2-4,6,12H,5H2,1H3.
What are the key properties of 4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline?
4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline has a molecular weight of 255.73 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline is sourced from PubChem (CID 107272151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).