(5-chloro-1,3,4-thiadiazol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone

C11H18ClN5OS — CID 80618666

IUPAC(5-chloro-1,3,4-thiadiazol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
SMILESCN(C)CCN1CCN(C(=O)c2nnc(Cl)s2)CC1
InChIInChI=1S/C11H18ClN5OS/c1-15(2)3-4-16-5-7-17(8-6-16)10(18)9-13-14-11(12)19-9/h3-8H2,1-2H3
InChIKeyWROHAOMDZWDVQZ-UHFFFAOYSA-N
MW303.82 g/mol
LogP0.51
Rot. Bonds4

About (5-chloro-1,3,4-thiadiazol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone

(5-chloro-1,3,4-thiadiazol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone (PubChem CID 80618666) has the molecular formula C11H18ClN5OS and a molecular weight of 303.82 g/mol. Its IUPAC name is (5-chloro-1,3,4-thiadiazol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1,3,4-thiadiazol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
PubChem CID80618666
Molecular FormulaC11H18ClN5OS
Molecular Weight303.82 g/mol
Exact Mass303.09
IUPAC Name(5-chloro-1,3,4-thiadiazol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
SMILESCN(C)CCN1CCN(C(=O)c2nnc(Cl)s2)CC1
InChIInChI=1S/C11H18ClN5OS/c1-15(2)3-4-16-5-7-17(8-6-16)10(18)9-13-14-11(12)19-9/h3-8H2,1-2H3
InChIKeyWROHAOMDZWDVQZ-UHFFFAOYSA-N
XLogP0.51
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3,4-thiadiazol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-1,3,4-thiadiazol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone (CID 80618666) is (5-chloro-1,3,4-thiadiazol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-1,3,4-thiadiazol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-1,3,4-thiadiazol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone is CN(C)CCN1CCN(C(=O)c2nnc(Cl)s2)CC1.
What is the InChIKey of (5-chloro-1,3,4-thiadiazol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
The InChIKey is WROHAOMDZWDVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5OS/c1-15(2)3-4-16-5-7-17(8-6-16)10(18)9-13-14-11(12)19-9/h3-8H2,1-2H3.
What are the key properties of (5-chloro-1,3,4-thiadiazol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?
(5-chloro-1,3,4-thiadiazol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone has a molecular weight of 303.82 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3,4-thiadiazol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 80618666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).