N,N-dimethyl-4-(thiadiazol-4-yl)benzamide

C11H11N3OS — CID 67628868

IUPACN,N-dimethyl-4-(thiadiazol-4-yl)benzamide
SMILESCN(C)C(=O)c1ccc(-c2csnn2)cc1
InChIInChI=1S/C11H11N3OS/c1-14(2)11(15)9-5-3-8(4-6-9)10-7-16-13-12-10/h3-7H,1-2H3
InChIKeyBUNPCAXKHMVTMY-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.91
Rot. Bonds2

About N,N-dimethyl-4-(thiadiazol-4-yl)benzamide

N,N-dimethyl-4-(thiadiazol-4-yl)benzamide (PubChem CID 67628868) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N,N-dimethyl-4-(thiadiazol-4-yl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(thiadiazol-4-yl)benzamide
PubChem CID67628868
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN,N-dimethyl-4-(thiadiazol-4-yl)benzamide
SMILESCN(C)C(=O)c1ccc(-c2csnn2)cc1
InChIInChI=1S/C11H11N3OS/c1-14(2)11(15)9-5-3-8(4-6-9)10-7-16-13-12-10/h3-7H,1-2H3
InChIKeyBUNPCAXKHMVTMY-UHFFFAOYSA-N
XLogP1.91
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(thiadiazol-4-yl)benzamide?
The IUPAC name of N,N-dimethyl-4-(thiadiazol-4-yl)benzamide (CID 67628868) is N,N-dimethyl-4-(thiadiazol-4-yl)benzamide.
What is the SMILES notation for N,N-dimethyl-4-(thiadiazol-4-yl)benzamide?
The canonical SMILES for N,N-dimethyl-4-(thiadiazol-4-yl)benzamide is CN(C)C(=O)c1ccc(-c2csnn2)cc1.
What is the InChIKey of N,N-dimethyl-4-(thiadiazol-4-yl)benzamide?
The InChIKey is BUNPCAXKHMVTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-14(2)11(15)9-5-3-8(4-6-9)10-7-16-13-12-10/h3-7H,1-2H3.
What are the key properties of N,N-dimethyl-4-(thiadiazol-4-yl)benzamide?
N,N-dimethyl-4-(thiadiazol-4-yl)benzamide has a molecular weight of 233.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(thiadiazol-4-yl)benzamide is sourced from PubChem (CID 67628868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).