3-methyl-4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide

C11H19N5OS — CID 46995399

IUPAC3-methyl-4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
SMILESCC(C)N1CCN(C(=O)Nc2nncs2)CC1C
InChIInChI=1S/C11H19N5OS/c1-8(2)16-5-4-15(6-9(16)3)11(17)13-10-14-12-7-18-10/h7-9H,4-6H2,1-3H3,(H,13,14,17)
InChIKeyYZHNKHFNXQFZKP-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.48
Rot. Bonds2

About 3-methyl-4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide

3-methyl-4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide (PubChem CID 46995399) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-methyl-4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
PubChem CID46995399
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name3-methyl-4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
SMILESCC(C)N1CCN(C(=O)Nc2nncs2)CC1C
InChIInChI=1S/C11H19N5OS/c1-8(2)16-5-4-15(6-9(16)3)11(17)13-10-14-12-7-18-10/h7-9H,4-6H2,1-3H3,(H,13,14,17)
InChIKeyYZHNKHFNXQFZKP-UHFFFAOYSA-N
XLogP1.48
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 3-methyl-4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide (CID 46995399) is 3-methyl-4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 3-methyl-4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 3-methyl-4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide is CC(C)N1CCN(C(=O)Nc2nncs2)CC1C.
What is the InChIKey of 3-methyl-4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is YZHNKHFNXQFZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-8(2)16-5-4-15(6-9(16)3)11(17)13-10-14-12-7-18-10/h7-9H,4-6H2,1-3H3,(H,13,14,17).
What are the key properties of 3-methyl-4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide?
3-methyl-4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 46995399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).