4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperazine-1-carboxamide

C14H17N5OS — CID 11573047

IUPAC4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(-c3csnn3)cc2)CC1
InChIInChI=1S/C14H17N5OS/c1-18-6-8-19(9-7-18)14(20)15-12-4-2-11(3-5-12)13-10-21-17-16-13/h2-5,10H,6-9H2,1H3,(H,15,20)
InChIKeyQUNHQSOOTMTOQW-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.98
Rot. Bonds2

About 4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperazine-1-carboxamide

4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperazine-1-carboxamide (PubChem CID 11573047) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperazine-1-carboxamide
PubChem CID11573047
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(-c3csnn3)cc2)CC1
InChIInChI=1S/C14H17N5OS/c1-18-6-8-19(9-7-18)14(20)15-12-4-2-11(3-5-12)13-10-21-17-16-13/h2-5,10H,6-9H2,1H3,(H,15,20)
InChIKeyQUNHQSOOTMTOQW-UHFFFAOYSA-N
XLogP1.98
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperazine-1-carboxamide (CID 11573047) is 4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperazine-1-carboxamide is CN1CCN(C(=O)Nc2ccc(-c3csnn3)cc2)CC1.
What is the InChIKey of 4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is QUNHQSOOTMTOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-18-6-8-19(9-7-18)14(20)15-12-4-2-11(3-5-12)13-10-21-17-16-13/h2-5,10H,6-9H2,1H3,(H,15,20).
What are the key properties of 4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperazine-1-carboxamide?
4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(thiadiazol-4-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 11573047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).