(4-methylthiadiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C11H18N4OS — CID 53016991

IUPAC(4-methylthiadiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H18N4OS/c1-8(2)14-4-6-15(7-5-14)11(16)10-9(3)12-13-17-10/h8H,4-7H2,1-3H3
InChIKeyDESLEBSYGIIZHL-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.01
Rot. Bonds2

About (4-methylthiadiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(4-methylthiadiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 53016991) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID53016991
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name(4-methylthiadiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H18N4OS/c1-8(2)14-4-6-15(7-5-14)11(16)10-9(3)12-13-17-10/h8H,4-7H2,1-3H3
InChIKeyDESLEBSYGIIZHL-UHFFFAOYSA-N
XLogP1.01
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 53016991) is (4-methylthiadiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is Cc1nnsc1C(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is DESLEBSYGIIZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8(2)14-4-6-15(7-5-14)11(16)10-9(3)12-13-17-10/h8H,4-7H2,1-3H3.
What are the key properties of (4-methylthiadiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(4-methylthiadiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 254.36 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 53016991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).