2-propyl-N-(thiatriazol-5-yl)pyrrolidine-2-carboxamide

C9H15N5OS — CID 106975887

IUPAC2-propyl-N-(thiatriazol-5-yl)pyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2nnns2)CCCN1
InChIInChI=1S/C9H15N5OS/c1-2-4-9(5-3-6-10-9)7(15)11-8-12-13-14-16-8/h10H,2-6H2,1H3,(H,11,12,14,15)
InChIKeyATGFAMJZBSSLGF-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.79
Rot. Bonds4

About 2-propyl-N-(thiatriazol-5-yl)pyrrolidine-2-carboxamide

2-propyl-N-(thiatriazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 106975887) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-propyl-N-(thiatriazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-propyl-N-(thiatriazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID106975887
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name2-propyl-N-(thiatriazol-5-yl)pyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2nnns2)CCCN1
InChIInChI=1S/C9H15N5OS/c1-2-4-9(5-3-6-10-9)7(15)11-8-12-13-14-16-8/h10H,2-6H2,1H3,(H,11,12,14,15)
InChIKeyATGFAMJZBSSLGF-UHFFFAOYSA-N
XLogP0.79
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-(thiatriazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-propyl-N-(thiatriazol-5-yl)pyrrolidine-2-carboxamide (CID 106975887) is 2-propyl-N-(thiatriazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-propyl-N-(thiatriazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-propyl-N-(thiatriazol-5-yl)pyrrolidine-2-carboxamide is CCCC1(C(=O)Nc2nnns2)CCCN1.
What is the InChIKey of 2-propyl-N-(thiatriazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is ATGFAMJZBSSLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-2-4-9(5-3-6-10-9)7(15)11-8-12-13-14-16-8/h10H,2-6H2,1H3,(H,11,12,14,15).
What are the key properties of 2-propyl-N-(thiatriazol-5-yl)pyrrolidine-2-carboxamide?
2-propyl-N-(thiatriazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-(thiatriazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 106975887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).