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

C10H10ClN3S — CID 43663783

IUPAC5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline
SMILESCc1ccc(Cl)cc1NCc1csnn1
InChIInChI=1S/C10H10ClN3S/c1-7-2-3-8(11)4-10(7)12-5-9-6-15-14-13-9/h2-4,6,12H,5H2,1H3
InChIKeyGDBDKXBZHYOMAQ-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.11
Rot. Bonds3

About 5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline

5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 43663783) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID43663783
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline
SMILESCc1ccc(Cl)cc1NCc1csnn1
InChIInChI=1S/C10H10ClN3S/c1-7-2-3-8(11)4-10(7)12-5-9-6-15-14-13-9/h2-4,6,12H,5H2,1H3
InChIKeyGDBDKXBZHYOMAQ-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

2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663808
2-bromo-5-chloro-N-(thiadiazol-4-ylmethyl)aniline
CID 81270374
4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide
CID 43737681
3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663810
2-chloro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663914
2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 115904338
2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline
CID 107527302
1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 62538894
5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62758474
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline
CID 29273451
5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941064
5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylaniline
CID 63993319

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline (CID 43663783) is 5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline is Cc1ccc(Cl)cc1NCc1csnn1.
What is the InChIKey of 5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is GDBDKXBZHYOMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c1-7-2-3-8(11)4-10(7)12-5-9-6-15-14-13-9/h2-4,6,12H,5H2,1H3.
What are the key properties of 5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline?
5-chloro-2-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 5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline is sourced from PubChem (CID 43663783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).