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

C10H10ClN3OS — CID 43426956

IUPAC4-chloro-N-(4-ethoxyphenyl)-1,2,5-thiadiazol-3-amine
SMILESCCOc1ccc(Nc2nsnc2Cl)cc1
InChIInChI=1S/C10H10ClN3OS/c1-2-15-8-5-3-7(4-6-8)12-10-9(11)13-16-14-10/h3-6H,2H2,1H3,(H,12,14)
InChIKeyPJKQZZGAAIPCBV-UHFFFAOYSA-N
MW255.73 g/mol
LogP3.33
Rot. Bonds4

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

4-chloro-N-(4-ethoxyphenyl)-1,2,5-thiadiazol-3-amine (PubChem CID 43426956) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 4-chloro-N-(4-ethoxyphenyl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(4-ethoxyphenyl)-1,2,5-thiadiazol-3-amine
PubChem CID43426956
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name4-chloro-N-(4-ethoxyphenyl)-1,2,5-thiadiazol-3-amine
SMILESCCOc1ccc(Nc2nsnc2Cl)cc1
InChIInChI=1S/C10H10ClN3OS/c1-2-15-8-5-3-7(4-6-8)12-10-9(11)13-16-14-10/h3-6H,2H2,1H3,(H,12,14)
InChIKeyPJKQZZGAAIPCBV-UHFFFAOYSA-N
XLogP3.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148675
6-chloro-N-(4-ethoxyphenyl)-5-nitropyrimidin-4-amine
CID 23477343
6-chloro-2-cyclopropyl-N-(4-ethoxyphenyl)-5-methylpyrimidin-4-amine
CID 80974062
4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine
CID 43426983
N-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 731293
5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 98017566
4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147676
4-N-(4-ethoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80769010
6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149233
N-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2345498
6-chloro-2-N-(4-ethoxyphenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80768213

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-ethoxyphenyl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(4-ethoxyphenyl)-1,2,5-thiadiazol-3-amine (CID 43426956) is 4-chloro-N-(4-ethoxyphenyl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(4-ethoxyphenyl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(4-ethoxyphenyl)-1,2,5-thiadiazol-3-amine is CCOc1ccc(Nc2nsnc2Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-ethoxyphenyl)-1,2,5-thiadiazol-3-amine?
The InChIKey is PJKQZZGAAIPCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c1-2-15-8-5-3-7(4-6-8)12-10-9(11)13-16-14-10/h3-6H,2H2,1H3,(H,12,14).
What are the key properties of 4-chloro-N-(4-ethoxyphenyl)-1,2,5-thiadiazol-3-amine?
4-chloro-N-(4-ethoxyphenyl)-1,2,5-thiadiazol-3-amine has a molecular weight of 255.73 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-ethoxyphenyl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 43426956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).