4-methyl-N-(1-phenylethyl)thiadiazole-5-carboxamide

C12H13N3OS — CID 6916146

IUPAC4-methyl-N-(1-phenylethyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C12H13N3OS/c1-8(10-6-4-3-5-7-10)13-12(16)11-9(2)14-15-17-11/h3-8H,1-2H3,(H,13,16)
InChIKeyGRPONLCDRJEXHO-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.34
Rot. Bonds3

About 4-methyl-N-(1-phenylethyl)thiadiazole-5-carboxamide

4-methyl-N-(1-phenylethyl)thiadiazole-5-carboxamide (PubChem CID 6916146) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-methyl-N-(1-phenylethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1-phenylethyl)thiadiazole-5-carboxamide
PubChem CID6916146
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name4-methyl-N-(1-phenylethyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C12H13N3OS/c1-8(10-6-4-3-5-7-10)13-12(16)11-9(2)14-15-17-11/h3-8H,1-2H3,(H,13,16)
InChIKeyGRPONLCDRJEXHO-UHFFFAOYSA-N
XLogP2.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-6-fluoro-phenyl)methyl]-4-methyl-thiadiazole-5-carboxamide
CID 332921
N,N-dimethyl-4-phenyl-1,2,3-thiadiazole-5-carboxamide
CID 2767922
1,2,3-Thiadiazole-5-carboxamide,N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-4-cyclopropyl-
CID 24755357
N-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 25190348
1,2,3-Thiadiazole-5-carboxamide, N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-4-cyclopropyl-
CID 44443739
N-benzyl-N-isopropyl-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 2813487
N-methyl-4-phenyl-1,2,3-thiadiazole-5-carboxamide
CID 3715739
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,3-thiadiazole-5-carboxamide
CID 850235
N-[(2,6-difluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 6917368
N-[(2-chloro-6-fluorophenyl)methyl]-4-propylthiadiazole-5-carboxamide
CID 6917377
4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 25189476
4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]thiadiazole-5-carboxamide
CID 25190406

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-phenylethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(1-phenylethyl)thiadiazole-5-carboxamide (CID 6916146) is 4-methyl-N-(1-phenylethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(1-phenylethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(1-phenylethyl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 4-methyl-N-(1-phenylethyl)thiadiazole-5-carboxamide?
The InChIKey is GRPONLCDRJEXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8(10-6-4-3-5-7-10)13-12(16)11-9(2)14-15-17-11/h3-8H,1-2H3,(H,13,16).
What are the key properties of 4-methyl-N-(1-phenylethyl)thiadiazole-5-carboxamide?
4-methyl-N-(1-phenylethyl)thiadiazole-5-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-phenylethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 6916146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).