3-chloro-N-(thiadiazol-5-ylmethyl)aniline

C9H8ClN3S — CID 130599769

IUPAC3-chloro-N-(thiadiazol-5-ylmethyl)aniline
SMILESClc1cccc(NCc2cnns2)c1
InChIInChI=1S/C9H8ClN3S/c10-7-2-1-3-8(4-7)11-5-9-6-12-13-14-9/h1-4,6,11H,5H2
InChIKeyYYNLWODWCLKSJW-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.80
Rot. Bonds3

About 3-chloro-N-(thiadiazol-5-ylmethyl)aniline

3-chloro-N-(thiadiazol-5-ylmethyl)aniline (PubChem CID 130599769) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is 3-chloro-N-(thiadiazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-(thiadiazol-5-ylmethyl)aniline
PubChem CID130599769
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name3-chloro-N-(thiadiazol-5-ylmethyl)aniline
SMILESClc1cccc(NCc2cnns2)c1
InChIInChI=1S/C9H8ClN3S/c10-7-2-1-3-8(4-7)11-5-9-6-12-13-14-9/h1-4,6,11H,5H2
InChIKeyYYNLWODWCLKSJW-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941535
4-N-(thiadiazol-5-ylmethyl)pyridine-2,4-diamine
CID 131062508
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-3-chloroaniline
CID 174725828
6-chloro-4-N-(thiadiazol-5-ylmethyl)pyrimidine-2,4-diamine
CID 131062511
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
2-[(3-chloroanilino)methyl]pyrimidin-5-amine
CID 105495577
5-[(3-chlorophenyl)methylsulfonylmethyl]thiadiazole
CID 166400017
3-chloro-N-[(5-methoxythiophen-2-yl)methyl]aniline
CID 115743308
3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 59740767
1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride
CID 156589611
3-chloro-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 43762080
3-chloro-N-[(4-iodophenyl)methyl]aniline
CID 65477156

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(thiadiazol-5-ylmethyl)aniline?
The IUPAC name of 3-chloro-N-(thiadiazol-5-ylmethyl)aniline (CID 130599769) is 3-chloro-N-(thiadiazol-5-ylmethyl)aniline.
What is the SMILES notation for 3-chloro-N-(thiadiazol-5-ylmethyl)aniline?
The canonical SMILES for 3-chloro-N-(thiadiazol-5-ylmethyl)aniline is Clc1cccc(NCc2cnns2)c1.
What is the InChIKey of 3-chloro-N-(thiadiazol-5-ylmethyl)aniline?
The InChIKey is YYNLWODWCLKSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c10-7-2-1-3-8(4-7)11-5-9-6-12-13-14-9/h1-4,6,11H,5H2.
What are the key properties of 3-chloro-N-(thiadiazol-5-ylmethyl)aniline?
3-chloro-N-(thiadiazol-5-ylmethyl)aniline has a molecular weight of 225.70 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(thiadiazol-5-ylmethyl)aniline is sourced from PubChem (CID 130599769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).