[3-(3,4-difluoroanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C15H16F2N4OS — CID 24790600

IUPAC[3-(3,4-difluoroanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCC(Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H16F2N4OS/c1-9-14(23-20-19-9)15(22)21-6-2-3-11(8-21)18-10-4-5-12(16)13(17)7-10/h4-5,7,11,18H,2-3,6,8H2,1H3
InChIKeyUMPVCMQPAPULMR-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.84
Rot. Bonds3

About [3-(3,4-difluoroanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[3-(3,4-difluoroanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 24790600) has the molecular formula C15H16F2N4OS and a molecular weight of 338.38 g/mol. Its IUPAC name is [3-(3,4-difluoroanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-difluoroanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID24790600
Molecular FormulaC15H16F2N4OS
Molecular Weight338.38 g/mol
Exact Mass338.10
IUPAC Name[3-(3,4-difluoroanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCC(Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H16F2N4OS/c1-9-14(23-20-19-9)15(22)21-6-2-3-11(8-21)18-10-4-5-12(16)13(17)7-10/h4-5,7,11,18H,2-3,6,8H2,1H3
InChIKeyUMPVCMQPAPULMR-UHFFFAOYSA-N
XLogP2.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-Fluorophenyl)piperazino](4-methyl-1,2,3-thiadiazol-5-yl)methanone
CID 2812820
4-methyl-N-phenyl-1,2,3-thiadiazole-5-carboxamide
CID 728526
[1,2,3]Thiadiazole-4-carboxylic acid cyclohexylcarbamoylmethyl-(2-fluoro-phenyl)-amide
CID 24793359
1-(2-Methylphenyl)-4-{1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-3-piperidinyl}piperazine
CID 24816961
4-methyl-N-[4-(piperidin-1-ylsulfonyl)phenyl]-1,2,3-thiadiazole-5-carboxamide
CID 9073761
N-{4-[(2-ethylpiperidin-1-yl)sulfonyl]phenyl}-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 16453291
[3-[4-(4-Fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 24790903
(4-Methylthiadiazol-5-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 24791406
[3-(3,4-Dimethylanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 24793878
N-(4-fluorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 850832
N,4-dimethyl-N-phenyl-1,2,3-thiadiazole-5-carboxamide
CID 850805
N-(2-fluorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 850831

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-difluoroanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [3-(3,4-difluoroanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 24790600) is [3-(3,4-difluoroanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-(3,4-difluoroanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-(3,4-difluoroanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCCC(Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of [3-(3,4-difluoroanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is UMPVCMQPAPULMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4OS/c1-9-14(23-20-19-9)15(22)21-6-2-3-11(8-21)18-10-4-5-12(16)13(17)7-10/h4-5,7,11,18H,2-3,6,8H2,1H3.
What are the key properties of [3-(3,4-difluoroanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[3-(3,4-difluoroanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 338.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-difluoroanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 24790600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).