N-(1,3-thiazol-2-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide

C12H16N6OS — CID 56802662

IUPACN-(1,3-thiazol-2-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1Cn1cncn1)Nc1nccs1
InChIInChI=1S/C12H16N6OS/c19-11(16-12-14-3-5-20-12)7-17-4-1-2-10(17)6-18-9-13-8-15-18/h3,5,8-10H,1-2,4,6-7H2,(H,14,16,19)
InChIKeyXMEOLIBPMAXYCR-UHFFFAOYSA-N
MW292.37 g/mol
LogP0.84
Rot. Bonds5

About N-(1,3-thiazol-2-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide

N-(1,3-thiazol-2-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (PubChem CID 56802662) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
PubChem CID56802662
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC NameN-(1,3-thiazol-2-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1Cn1cncn1)Nc1nccs1
InChIInChI=1S/C12H16N6OS/c19-11(16-12-14-3-5-20-12)7-17-4-1-2-10(17)6-18-9-13-8-15-18/h3,5,8-10H,1-2,4,6-7H2,(H,14,16,19)
InChIKeyXMEOLIBPMAXYCR-UHFFFAOYSA-N
XLogP0.84
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (CID 56802662) is N-(1,3-thiazol-2-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is O=C(CN1CCCC1Cn1cncn1)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is XMEOLIBPMAXYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS/c19-11(16-12-14-3-5-20-12)7-17-4-1-2-10(17)6-18-9-13-8-15-18/h3,5,8-10H,1-2,4,6-7H2,(H,14,16,19).
What are the key properties of N-(1,3-thiazol-2-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
N-(1,3-thiazol-2-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 292.37 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 56802662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).