1-[5-(2,3-dichlorophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine

C14H16Cl2N4S2 — CID 177371146

IUPAC1-[5-(2,3-dichlorophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2nnc(Sc3cccc(Cl)c3Cl)s2)CC1
InChIInChI=1S/C14H16Cl2N4S2/c1-14(17)5-7-20(8-6-14)12-18-19-13(22-12)21-10-4-2-3-9(15)11(10)16/h2-4H,5-8,17H2,1H3
InChIKeyACKGGHBSOPOXRJ-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.31
Rot. Bonds3

About 1-[5-(2,3-dichlorophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine

1-[5-(2,3-dichlorophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine (PubChem CID 177371146) has the molecular formula C14H16Cl2N4S2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 1-[5-(2,3-dichlorophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5-(2,3-dichlorophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine
PubChem CID177371146
Molecular FormulaC14H16Cl2N4S2
Molecular Weight375.35 g/mol
Exact Mass374.02
IUPAC Name1-[5-(2,3-dichlorophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2nnc(Sc3cccc(Cl)c3Cl)s2)CC1
InChIInChI=1S/C14H16Cl2N4S2/c1-14(17)5-7-20(8-6-14)12-18-19-13(22-12)21-10-4-2-3-9(15)11(10)16/h2-4H,5-8,17H2,1H3
InChIKeyACKGGHBSOPOXRJ-UHFFFAOYSA-N
XLogP4.31
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dichlorophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[5-(2,3-dichlorophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine (CID 177371146) is 1-[5-(2,3-dichlorophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[5-(2,3-dichlorophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[5-(2,3-dichlorophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine is CC1(N)CCN(c2nnc(Sc3cccc(Cl)c3Cl)s2)CC1.
What is the InChIKey of 1-[5-(2,3-dichlorophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine?
The InChIKey is ACKGGHBSOPOXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4S2/c1-14(17)5-7-20(8-6-14)12-18-19-13(22-12)21-10-4-2-3-9(15)11(10)16/h2-4H,5-8,17H2,1H3.
What are the key properties of 1-[5-(2,3-dichlorophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine?
1-[5-(2,3-dichlorophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine has a molecular weight of 375.35 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dichlorophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 177371146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).