5-pyrrolidin-1-ylthiadiazole-4-carboxamide

C7H10N4OS — CID 1499018

IUPAC5-pyrrolidin-1-ylthiadiazole-4-carboxamide
SMILESNC(=O)c1nnsc1N1CCCC1
InChIInChI=1S/C7H10N4OS/c8-6(12)5-7(13-10-9-5)11-3-1-2-4-11/h1-4H2,(H2,8,12)
InChIKeyNKERPRFPILYRDL-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.24
Rot. Bonds2

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

5-pyrrolidin-1-ylthiadiazole-4-carboxamide (PubChem CID 1499018) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is 5-pyrrolidin-1-ylthiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-pyrrolidin-1-ylthiadiazole-4-carboxamide
PubChem CID1499018
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC Name5-pyrrolidin-1-ylthiadiazole-4-carboxamide
SMILESNC(=O)c1nnsc1N1CCCC1
InChIInChI=1S/C7H10N4OS/c8-6(12)5-7(13-10-9-5)11-3-1-2-4-11/h1-4H2,(H2,8,12)
InChIKeyNKERPRFPILYRDL-UHFFFAOYSA-N
XLogP0.24
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.24
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-(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-(4-Methylpiperazin-1-yl)-1,2,3-thiadiazole-4-carboxamide
CID 1499019
N-Methyl-5-(pyrrolidin-1-YL)-1,2,3-thiadiazole-4-carboxamide
CID 1499020
5-(dimethylamino)-N-methyl-1,2,3-thiadiazole-4-carboxamide
CID 1499108
5-(1,4'-Bipiperidin-1'-yl)-1,2,3-thiadiazole-4-carboxamide
CID 1499265
5-amino-N-methyl-N-propylthiadiazole-4-carboxamide
CID 75513761
5-(Methylamino)thiadiazole-4-carboxamide
CID 84048587

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-ylthiadiazole-4-carboxamide?
The IUPAC name of 5-pyrrolidin-1-ylthiadiazole-4-carboxamide (CID 1499018) is 5-pyrrolidin-1-ylthiadiazole-4-carboxamide.
What is the SMILES notation for 5-pyrrolidin-1-ylthiadiazole-4-carboxamide?
The canonical SMILES for 5-pyrrolidin-1-ylthiadiazole-4-carboxamide is NC(=O)c1nnsc1N1CCCC1.
What is the InChIKey of 5-pyrrolidin-1-ylthiadiazole-4-carboxamide?
The InChIKey is NKERPRFPILYRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c8-6(12)5-7(13-10-9-5)11-3-1-2-4-11/h1-4H2,(H2,8,12).
What are the key properties of 5-pyrrolidin-1-ylthiadiazole-4-carboxamide?
5-pyrrolidin-1-ylthiadiazole-4-carboxamide has a molecular weight of 198.25 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-ylthiadiazole-4-carboxamide is sourced from PubChem (CID 1499018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).