2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline

C9H7Cl2N3S — CID 43663808

IUPAC2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline
SMILESClc1ccc(Cl)c(NCc2csnn2)c1
InChIInChI=1S/C9H7Cl2N3S/c10-6-1-2-8(11)9(3-6)12-4-7-5-15-14-13-7/h1-3,5,12H,4H2
InChIKeyXFJCBQARRKVOMJ-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.46
Rot. Bonds3

About 2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline

2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 43663808) has the molecular formula C9H7Cl2N3S and a molecular weight of 260.15 g/mol. Its IUPAC name is 2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID43663808
Molecular FormulaC9H7Cl2N3S
Molecular Weight260.15 g/mol
Exact Mass258.97
IUPAC Name2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline
SMILESClc1ccc(Cl)c(NCc2csnn2)c1
InChIInChI=1S/C9H7Cl2N3S/c10-6-1-2-8(11)9(3-6)12-4-7-5-15-14-13-7/h1-3,5,12H,4H2
InChIKeyXFJCBQARRKVOMJ-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663783
2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline
CID 107527302
2-bromo-5-chloro-N-(thiadiazol-4-ylmethyl)aniline
CID 81270374
2-chloro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663914
4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide
CID 43737681
1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 62538894
3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663810
4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 107272151
2,5-dichloro-N-(thiophen-3-ylmethyl)aniline
CID 29267007
2-chloro-6-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 66251310
2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline
CID 43664102
2,4-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663822

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline (CID 43663808) is 2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline is Clc1ccc(Cl)c(NCc2csnn2)c1.
What is the InChIKey of 2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is XFJCBQARRKVOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3S/c10-6-1-2-8(11)9(3-6)12-4-7-5-15-14-13-7/h1-3,5,12H,4H2.
What are the key properties of 2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline?
2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline has a molecular weight of 260.15 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline is sourced from PubChem (CID 43663808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).