(5-chloro-1,3,4-thiadiazol-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone

C10H15ClN4OS — CID 80617685

IUPAC(5-chloro-1,3,4-thiadiazol-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2nnc(Cl)s2)CC1(C)C
InChIInChI=1S/C10H15ClN4OS/c1-10(2)6-15(5-4-14(10)3)8(16)7-12-13-9(11)17-7/h4-6H2,1-3H3
InChIKeySOJIHXNUSJBMRB-UHFFFAOYSA-N
MW274.78 g/mol
LogP1.36
Rot. Bonds1

About (5-chloro-1,3,4-thiadiazol-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone

(5-chloro-1,3,4-thiadiazol-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone (PubChem CID 80617685) has the molecular formula C10H15ClN4OS and a molecular weight of 274.78 g/mol. Its IUPAC name is (5-chloro-1,3,4-thiadiazol-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1,3,4-thiadiazol-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone
PubChem CID80617685
Molecular FormulaC10H15ClN4OS
Molecular Weight274.78 g/mol
Exact Mass274.07
IUPAC Name(5-chloro-1,3,4-thiadiazol-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2nnc(Cl)s2)CC1(C)C
InChIInChI=1S/C10H15ClN4OS/c1-10(2)6-15(5-4-14(10)3)8(16)7-12-13-9(11)17-7/h4-6H2,1-3H3
InChIKeySOJIHXNUSJBMRB-UHFFFAOYSA-N
XLogP1.36
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3,4-thiadiazol-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-1,3,4-thiadiazol-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone (CID 80617685) is (5-chloro-1,3,4-thiadiazol-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-1,3,4-thiadiazol-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-1,3,4-thiadiazol-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2nnc(Cl)s2)CC1(C)C.
What is the InChIKey of (5-chloro-1,3,4-thiadiazol-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
The InChIKey is SOJIHXNUSJBMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4OS/c1-10(2)6-15(5-4-14(10)3)8(16)7-12-13-9(11)17-7/h4-6H2,1-3H3.
What are the key properties of (5-chloro-1,3,4-thiadiazol-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone?
(5-chloro-1,3,4-thiadiazol-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone has a molecular weight of 274.78 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3,4-thiadiazol-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 80617685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).