N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide

C12H12N6OS2 — CID 42628149

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
SMILESCc1nc(NC(=O)CSc2nnc3ncccn23)sc1C
InChIInChI=1S/C12H12N6OS2/c1-7-8(2)21-11(14-7)15-9(19)6-20-12-17-16-10-13-4-3-5-18(10)12/h3-5H,6H2,1-2H3,(H,14,15,19)
InChIKeyRNUMQKHWWCYOGE-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.93
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide (PubChem CID 42628149) has the molecular formula C12H12N6OS2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
PubChem CID42628149
Molecular FormulaC12H12N6OS2
Molecular Weight320.40 g/mol
Exact Mass320.05
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
SMILESCc1nc(NC(=O)CSc2nnc3ncccn23)sc1C
InChIInChI=1S/C12H12N6OS2/c1-7-8(2)21-11(14-7)15-9(19)6-20-12-17-16-10-13-4-3-5-18(10)12/h3-5H,6H2,1-2H3,(H,14,15,19)
InChIKeyRNUMQKHWWCYOGE-UHFFFAOYSA-N
XLogP1.93
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)-acetamide
CID 648658
7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2093872
N-(5-Methyl-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)-acetamide
CID 24793460
N-(5-Methyl-[1,3,4]thiadiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)-acetamide
CID 24793462
N-(4-methyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
CID 653439
N,N-dimethyl-2-[4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 40068546
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrimidin-2-ylamino)thiazole-4-carboxamide
CID 49670087
N-(4,5-dimethylthiazol-2-yl)-2-(2-(pyrimidin-2-ylamino)thiazol-4-yl)acetamide
CID 49677923
N-(1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
CID 1458096
2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 1519703
2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 3227871
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 43816402

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide (CID 42628149) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide is Cc1nc(NC(=O)CSc2nnc3ncccn23)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide?
The InChIKey is RNUMQKHWWCYOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6OS2/c1-7-8(2)21-11(14-7)15-9(19)6-20-12-17-16-10-13-4-3-5-18(10)12/h3-5H,6H2,1-2H3,(H,14,15,19).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide has a molecular weight of 320.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 42628149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).