4-methyl-3-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)benzamide

C14H12N4OS — CID 29370773

IUPAC4-methyl-3-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nncs2)cc1-n1cccc1
InChIInChI=1S/C14H12N4OS/c1-10-4-5-11(8-12(10)18-6-2-3-7-18)13(19)16-14-17-15-9-20-14/h2-9H,1H3,(H,16,17,19)
InChIKeySCOFPCWQMBMYIU-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.89
Rot. Bonds3

About 4-methyl-3-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)benzamide

4-methyl-3-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 29370773) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-methyl-3-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methyl-3-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID29370773
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name4-methyl-3-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nncs2)cc1-n1cccc1
InChIInChI=1S/C14H12N4OS/c1-10-4-5-11(8-12(10)18-6-2-3-7-18)13(19)16-14-17-15-9-20-14/h2-9H,1H3,(H,16,17,19)
InChIKeySCOFPCWQMBMYIU-UHFFFAOYSA-N
XLogP2.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 739253
N-(4-acetamidophenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 16590163
N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 18138394
4-methyl-3-pyrrol-1-ylbenzamide
CID 91674702
N-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 16590326
4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide
CID 18156699
N-(3-chloro-2-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 30138754
4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide
CID 46427634
4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 17018933
4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 80973968
ethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate
CID 43042123
N-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18145864

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-methyl-3-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 29370773) is 4-methyl-3-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-methyl-3-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-methyl-3-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)benzamide is Cc1ccc(C(=O)Nc2nncs2)cc1-n1cccc1.
What is the InChIKey of 4-methyl-3-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is SCOFPCWQMBMYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-10-4-5-11(8-12(10)18-6-2-3-7-18)13(19)16-14-17-15-9-20-14/h2-9H,1H3,(H,16,17,19).
What are the key properties of 4-methyl-3-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)benzamide?
4-methyl-3-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 284.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 29370773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).