N-methyl-5-pyrrolidin-1-ylthiadiazole-4-carboxamide

C8H12N4OS — CID 1499020

IUPACN-methyl-5-pyrrolidin-1-ylthiadiazole-4-carboxamide
SMILESCNC(=O)c1nnsc1N1CCCC1
InChIInChI=1S/C8H12N4OS/c1-9-7(13)6-8(14-11-10-6)12-4-2-3-5-12/h2-5H2,1H3,(H,9,13)
InChIKeyBHIVHAMLOJZWBR-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.50
Rot. Bonds2

About N-methyl-5-pyrrolidin-1-ylthiadiazole-4-carboxamide

N-methyl-5-pyrrolidin-1-ylthiadiazole-4-carboxamide (PubChem CID 1499020) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is N-methyl-5-pyrrolidin-1-ylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-pyrrolidin-1-ylthiadiazole-4-carboxamide
PubChem CID1499020
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC NameN-methyl-5-pyrrolidin-1-ylthiadiazole-4-carboxamide
SMILESCNC(=O)c1nnsc1N1CCCC1
InChIInChI=1S/C8H12N4OS/c1-9-7(13)6-8(14-11-10-6)12-4-2-3-5-12/h2-5H2,1H3,(H,9,13)
InChIKeyBHIVHAMLOJZWBR-UHFFFAOYSA-N
XLogP0.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Ethylamino-[1,2,3]thiadiazole-4-carboxylic acid amide
CID 18467501
5-Hexylamino-[1,2,3]thiadiazole-4-carboxylic acid amide
CID 18467502
5-(acetylamino)-N-cyclohexyl-1,2,3-thiadiazole-4-carboxamide
CID 1498985
5-(Piperidin-1-YL)-1,2,3-thiadiazole-4-carboxamide
CID 1499021
N-methyl-5-piperidin-1-ylthiadiazole-4-carboxamide
CID 1499017
N-methyl-5-(propan-2-ylamino)thiadiazole-4-carboxamide
CID 86181120
5-(3,4-Dimethylpyrrolidin-1-yl)thiadiazole-4-carboxamide
CID 22093058
5-(methylcarbamoylamino)-N-propan-2-ylthiadiazole-4-carboxamide
CID 22758960
N-butyl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide
CID 134110030
N-butan-2-yl-5-(dimethylcarbamoylamino)thiadiazole-4-carboxamide
CID 154089039
5-(Pyrrolidin-1-yl)-1,2,3-thiadiazole-4-carboxamide
CID 1499018
5-(4-Methylpiperazin-1-yl)-1,2,3-thiadiazole-4-carboxamide
CID 1499019

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-pyrrolidin-1-ylthiadiazole-4-carboxamide?
The IUPAC name of N-methyl-5-pyrrolidin-1-ylthiadiazole-4-carboxamide (CID 1499020) is N-methyl-5-pyrrolidin-1-ylthiadiazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-pyrrolidin-1-ylthiadiazole-4-carboxamide?
The canonical SMILES for N-methyl-5-pyrrolidin-1-ylthiadiazole-4-carboxamide is CNC(=O)c1nnsc1N1CCCC1.
What is the InChIKey of N-methyl-5-pyrrolidin-1-ylthiadiazole-4-carboxamide?
The InChIKey is BHIVHAMLOJZWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-9-7(13)6-8(14-11-10-6)12-4-2-3-5-12/h2-5H2,1H3,(H,9,13).
What are the key properties of N-methyl-5-pyrrolidin-1-ylthiadiazole-4-carboxamide?
N-methyl-5-pyrrolidin-1-ylthiadiazole-4-carboxamide has a molecular weight of 212.28 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-pyrrolidin-1-ylthiadiazole-4-carboxamide is sourced from PubChem (CID 1499020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).