N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C13H11N5O2S2 — CID 1263614

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(NC(=O)CSc2nnc(-c3ccncc3)o2)n1
InChIInChI=1S/C13H11N5O2S2/c1-8-6-21-12(15-8)16-10(19)7-22-13-18-17-11(20-13)9-2-4-14-5-3-9/h2-6H,7H2,1H3,(H,15,16,19)
InChIKeyVRRUXVDRYAOJMV-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.63
Rot. Bonds5

About N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 1263614) has the molecular formula C13H11N5O2S2 and a molecular weight of 333.40 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID1263614
Molecular FormulaC13H11N5O2S2
Molecular Weight333.40 g/mol
Exact Mass333.04
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(NC(=O)CSc2nnc(-c3ccncc3)o2)n1
InChIInChI=1S/C13H11N5O2S2/c1-8-6-21-12(15-8)16-10(19)7-22-13-18-17-11(20-13)9-2-4-14-5-3-9/h2-6H,7H2,1H3,(H,15,16,19)
InChIKeyVRRUXVDRYAOJMV-UHFFFAOYSA-N
XLogP2.63
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 1263614) is N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)o2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is VRRUXVDRYAOJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S2/c1-8-6-21-12(15-8)16-10(19)7-22-13-18-17-11(20-13)9-2-4-14-5-3-9/h2-6H,7H2,1H3,(H,15,16,19).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 333.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 1263614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).