2-chloro-5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline

C10H10ClN3S2 — CID 115555574

IUPAC2-chloro-5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
SMILESCc1nnc(Sc2cc(Cl)c(N)cc2C)s1
InChIInChI=1S/C10H10ClN3S2/c1-5-3-8(12)7(11)4-9(5)16-10-14-13-6(2)15-10/h3-4H,12H2,1-2H3
InChIKeyAUIMJAGYRZHSLX-UHFFFAOYSA-N
MW271.80 g/mol
LogP3.54
Rot. Bonds2

About 2-chloro-5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline

2-chloro-5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline (PubChem CID 115555574) has the molecular formula C10H10ClN3S2 and a molecular weight of 271.80 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name2-chloro-5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
PubChem CID115555574
Molecular FormulaC10H10ClN3S2
Molecular Weight271.80 g/mol
Exact Mass271.00
IUPAC Name2-chloro-5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
SMILESCc1nnc(Sc2cc(Cl)c(N)cc2C)s1
InChIInChI=1S/C10H10ClN3S2/c1-5-3-8(12)7(11)4-9(5)16-10-14-13-6(2)15-10/h3-4H,12H2,1-2H3
InChIKeyAUIMJAGYRZHSLX-UHFFFAOYSA-N
XLogP3.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.80
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 65342054
5-iodo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 66082760
1-[3-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 62911755
2-chloro-5-methyl-4-pyridin-4-ylsulfanylaniline
CID 115555612
2-[3-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 81159748
3-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzaldehyde
CID 81159058
5-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenesulfonamide
CID 79905162
3-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide
CID 60875411
4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 47158888
1-[3-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]butan-2-amine
CID 81159584
4-(2-bromophenyl)sulfanyl-2-chloro-5-methylaniline
CID 113334525
[5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanol
CID 114865538

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline?
The IUPAC name of 2-chloro-5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline (CID 115555574) is 2-chloro-5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 2-chloro-5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 2-chloro-5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline is Cc1nnc(Sc2cc(Cl)c(N)cc2C)s1.
What is the InChIKey of 2-chloro-5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline?
The InChIKey is AUIMJAGYRZHSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S2/c1-5-3-8(12)7(11)4-9(5)16-10-14-13-6(2)15-10/h3-4H,12H2,1-2H3.
What are the key properties of 2-chloro-5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline?
2-chloro-5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline has a molecular weight of 271.80 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 115555574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).