4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine

C10H10ClN3O2S — CID 43426983

IUPAC4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine
SMILESCOc1ccc(Nc2nsnc2Cl)cc1OC
InChIInChI=1S/C10H10ClN3O2S/c1-15-7-4-3-6(5-8(7)16-2)12-10-9(11)13-17-14-10/h3-5H,1-2H3,(H,12,14)
InChIKeyRBLAQNKGTADIBH-UHFFFAOYSA-N
MW271.73 g/mol
LogP2.95
Rot. Bonds4

About 4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine

4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine (PubChem CID 43426983) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is 4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine
PubChem CID43426983
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC Name4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine
SMILESCOc1ccc(Nc2nsnc2Cl)cc1OC
InChIInChI=1S/C10H10ClN3O2S/c1-15-7-4-3-6(5-8(7)16-2)12-10-9(11)13-17-14-10/h3-5H,1-2H3,(H,12,14)
InChIKeyRBLAQNKGTADIBH-UHFFFAOYSA-N
XLogP2.95
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-6-chloro-N-(3,4-dimethoxyphenyl)pyrimidin-4-amine
CID 114071661
N-(4-bromo-3-chlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 107615026
6-chloro-N-(3,4-dimethoxyphenyl)-5-nitropyrimidin-4-amine
CID 62101180
7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 43306672
4-chloro-N-(4-ethoxyphenyl)-1,2,5-thiadiazol-3-amine
CID 43426956
2-N,3-N-bis(3,4-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
CID 70165713
5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 11676208
5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 66218090
4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 79400359
N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine
CID 156575619
N-(3,4-dimethoxyphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80911783
N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride
CID 57422578

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine (CID 43426983) is 4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine is COc1ccc(Nc2nsnc2Cl)cc1OC.
What is the InChIKey of 4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine?
The InChIKey is RBLAQNKGTADIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c1-15-7-4-3-6(5-8(7)16-2)12-10-9(11)13-17-14-10/h3-5H,1-2H3,(H,12,14).
What are the key properties of 4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine?
4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine has a molecular weight of 271.73 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 43426983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).