N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide

C17H22N4OS — CID 72719268

IUPACN-[(1-phenylpyrrolidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC1CCCN1c1ccccc1
InChIInChI=1S/C17H22N4OS/c1-2-7-15-16(23-20-19-15)17(22)18-12-14-10-6-11-21(14)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3,(H,18,22)
InChIKeyHFYAIJIGXFSTSE-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.89
Rot. Bonds6

About N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide

N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 72719268) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-phenylpyrrolidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide
PubChem CID72719268
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-[(1-phenylpyrrolidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC1CCCN1c1ccccc1
InChIInChI=1S/C17H22N4OS/c1-2-7-15-16(23-20-19-15)17(22)18-12-14-10-6-11-21(14)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3,(H,18,22)
InChIKeyHFYAIJIGXFSTSE-UHFFFAOYSA-N
XLogP2.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.89
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
(S)-N-(1-(3-chlorophenylamino)-1,8-dioxononan-2-yl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 44418040
4-methyl-N-phenyl-1,2,3-thiadiazole-5-carboxamide
CID 728526
N-(3,4-difluorophenyl)-1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-3-piperidinamine
CID 24790600
[3-[4-(4-Fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 24790903
N-(3,4-dimethylphenyl)-1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-3-piperidinamine
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
N-[3-(diethylsulfamoyl)phenyl]-4-ethylthiadiazole-5-carboxamide
CID 9192102
N-(4-isopropylphenyl)-1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-3-piperidinamine
CID 24791734
N-[3-(cyclopropanecarbonylamino)phenyl]-4-ethylthiadiazole-5-carboxamide
CID 36348856

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide (CID 72719268) is N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCC1CCCN1c1ccccc1.
What is the InChIKey of N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is HFYAIJIGXFSTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-2-7-15-16(23-20-19-15)17(22)18-12-14-10-6-11-21(14)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3,(H,18,22).
What are the key properties of N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide?
N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 72719268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).