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

C10H15ClN4OS — CID 80625077

IUPAC(5-chloro-1,3,4-thiadiazol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2nnc(Cl)s2)CC1
InChIInChI=1S/C10H15ClN4OS/c1-7(2)14-3-5-15(6-4-14)9(16)8-12-13-10(11)17-8/h7H,3-6H2,1-2H3
InChIKeyPHYGVMJNHIYJOZ-UHFFFAOYSA-N
MW274.78 g/mol
LogP1.36
Rot. Bonds2

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

(5-chloro-1,3,4-thiadiazol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 80625077) 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)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1,3,4-thiadiazol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID80625077
Molecular FormulaC10H15ClN4OS
Molecular Weight274.78 g/mol
Exact Mass274.07
IUPAC Name(5-chloro-1,3,4-thiadiazol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2nnc(Cl)s2)CC1
InChIInChI=1S/C10H15ClN4OS/c1-7(2)14-3-5-15(6-4-14)9(16)8-12-13-10(11)17-8/h7H,3-6H2,1-2H3
InChIKeyPHYGVMJNHIYJOZ-UHFFFAOYSA-N
XLogP1.36
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
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)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-1,3,4-thiadiazol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 80625077) is (5-chloro-1,3,4-thiadiazol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-1,3,4-thiadiazol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-1,3,4-thiadiazol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2nnc(Cl)s2)CC1.
What is the InChIKey of (5-chloro-1,3,4-thiadiazol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is PHYGVMJNHIYJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4OS/c1-7(2)14-3-5-15(6-4-14)9(16)8-12-13-10(11)17-8/h7H,3-6H2,1-2H3.
What are the key properties of (5-chloro-1,3,4-thiadiazol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(5-chloro-1,3,4-thiadiazol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 274.78 g/mol, XLogP of 1.36, 2 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)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 80625077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).