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

C10H10ClN3S — CID 43663810

IUPAC3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline
SMILESCc1ccc(NCc2csnn2)cc1Cl
InChIInChI=1S/C10H10ClN3S/c1-7-2-3-8(4-10(7)11)12-5-9-6-15-14-13-9/h2-4,6,12H,5H2,1H3
InChIKeyONZFPDDRPYSQGB-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.11
Rot. Bonds3

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

3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 43663810) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID43663810
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline
SMILESCc1ccc(NCc2csnn2)cc1Cl
InChIInChI=1S/C10H10ClN3S/c1-7-2-3-8(4-10(7)11)12-5-9-6-15-14-13-9/h2-4,6,12H,5H2,1H3
InChIKeyONZFPDDRPYSQGB-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

3,4-dimethyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663904
4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 107272151
5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663783
N-[2-methyl-4-(thiadiazol-4-ylmethylamino)phenyl]acetamide
CID 43672907
4-methoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663944
N-(thiadiazol-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 43663884
3-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline
CID 82893507
2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663808
3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline
CID 63418316
2-chloro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663914
2-N,2-N-dimethyl-5-N-(thiadiazol-4-ylmethyl)pyridine-2,5-diamine
CID 43690649
N-benzyl-3-chloro-4-methylaniline
CID 18778604

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline (CID 43663810) is 3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline is Cc1ccc(NCc2csnn2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is ONZFPDDRPYSQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c1-7-2-3-8(4-10(7)11)12-5-9-6-15-14-13-9/h2-4,6,12H,5H2,1H3.
What are the key properties of 3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline?
3-chloro-4-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 3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline is sourced from PubChem (CID 43663810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).