2-chloro-6-methyl-N-(thiadiazol-4-ylmethyl)aniline

C10H10ClN3S — CID 66251310

IUPAC2-chloro-6-methyl-N-(thiadiazol-4-ylmethyl)aniline
SMILESCc1cccc(Cl)c1NCc1csnn1
InChIInChI=1S/C10H10ClN3S/c1-7-3-2-4-9(11)10(7)12-5-8-6-15-14-13-8/h2-4,6,12H,5H2,1H3
InChIKeyPCPRHUCRIOLFLO-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.11
Rot. Bonds3

About 2-chloro-6-methyl-N-(thiadiazol-4-ylmethyl)aniline

2-chloro-6-methyl-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 66251310) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID66251310
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name2-chloro-6-methyl-N-(thiadiazol-4-ylmethyl)aniline
SMILESCc1cccc(Cl)c1NCc1csnn1
InChIInChI=1S/C10H10ClN3S/c1-7-3-2-4-9(11)10(7)12-5-8-6-15-14-13-8/h2-4,6,12H,5H2,1H3
InChIKeyPCPRHUCRIOLFLO-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663914
2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 115904338
3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663810
2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline
CID 43664102
5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663783
N,N'-bis(2-chloro-6-methylphenyl)methanediamine
CID 22450713
2-chloro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 66253218
3,4-dimethyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663904
2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline
CID 66253245
4-bromo-2-methoxy-6-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 54864304
[4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol
CID 112630922
5-methyl-N-(thiadiazol-4-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 107648317

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 2-chloro-6-methyl-N-(thiadiazol-4-ylmethyl)aniline (CID 66251310) is 2-chloro-6-methyl-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-6-methyl-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 2-chloro-6-methyl-N-(thiadiazol-4-ylmethyl)aniline is Cc1cccc(Cl)c1NCc1csnn1.
What is the InChIKey of 2-chloro-6-methyl-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is PCPRHUCRIOLFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c1-7-3-2-4-9(11)10(7)12-5-8-6-15-14-13-8/h2-4,6,12H,5H2,1H3.
What are the key properties of 2-chloro-6-methyl-N-(thiadiazol-4-ylmethyl)aniline?
2-chloro-6-methyl-N-(thiadiazol-4-ylmethyl)aniline has a molecular weight of 239.73 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(thiadiazol-4-ylmethyl)aniline is sourced from PubChem (CID 66251310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).