2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

C12H16N6OS2 — CID 75369838

IUPAC2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCC1CN(CC(=O)Nc2nncs2)CCN1c1nccs1
InChIInChI=1S/C12H16N6OS2/c1-9-6-17(3-4-18(9)12-13-2-5-20-12)7-10(19)15-11-16-14-8-21-11/h2,5,8-9H,3-4,6-7H2,1H3,(H,15,16,19)
InChIKeyDVCCMJPKWNLCSO-UHFFFAOYSA-N
MW324.44 g/mol
LogP1.14
Rot. Bonds4

About 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 75369838) has the molecular formula C12H16N6OS2 and a molecular weight of 324.44 g/mol. Its IUPAC name is 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID75369838
Molecular FormulaC12H16N6OS2
Molecular Weight324.44 g/mol
Exact Mass324.08
IUPAC Name2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCC1CN(CC(=O)Nc2nncs2)CCN1c1nccs1
InChIInChI=1S/C12H16N6OS2/c1-9-6-17(3-4-18(9)12-13-2-5-20-12)7-10(19)15-11-16-14-8-21-11/h2,5,8-9H,3-4,6-7H2,1H3,(H,15,16,19)
InChIKeyDVCCMJPKWNLCSO-UHFFFAOYSA-N
XLogP1.14
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 75369838) is 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is CC1CN(CC(=O)Nc2nncs2)CCN1c1nccs1.
What is the InChIKey of 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is DVCCMJPKWNLCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS2/c1-9-6-17(3-4-18(9)12-13-2-5-20-12)7-10(19)15-11-16-14-8-21-11/h2,5,8-9H,3-4,6-7H2,1H3,(H,15,16,19).
What are the key properties of 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 324.44 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 75369838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).