5-(methylamino)-N-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide

C9H16N6OS — CID 83025348

IUPAC5-(methylamino)-N-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NN2CCN(C)CC2)s1
InChIInChI=1S/C9H16N6OS/c1-10-9-12-11-8(17-9)7(16)13-15-5-3-14(2)4-6-15/h3-6H2,1-2H3,(H,10,12)(H,13,16)
InChIKeyYSLGQQNCZNWTCE-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.53
Rot. Bonds3

About 5-(methylamino)-N-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide

5-(methylamino)-N-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 83025348) has the molecular formula C9H16N6OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-(methylamino)-N-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID83025348
Molecular FormulaC9H16N6OS
Molecular Weight256.33 g/mol
Exact Mass256.11
IUPAC Name5-(methylamino)-N-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NN2CCN(C)CC2)s1
InChIInChI=1S/C9H16N6OS/c1-10-9-12-11-8(17-9)7(16)13-15-5-3-14(2)4-6-15/h3-6H2,1-2H3,(H,10,12)(H,13,16)
InChIKeyYSLGQQNCZNWTCE-UHFFFAOYSA-N
XLogP-0.53
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide (CID 83025348) is 5-(methylamino)-N-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NN2CCN(C)CC2)s1.
What is the InChIKey of 5-(methylamino)-N-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is YSLGQQNCZNWTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6OS/c1-10-9-12-11-8(17-9)7(16)13-15-5-3-14(2)4-6-15/h3-6H2,1-2H3,(H,10,12)(H,13,16).
What are the key properties of 5-(methylamino)-N-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide?
5-(methylamino)-N-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 256.33 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 83025348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).