2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide

C19H25N7OS2 — CID 29329510

IUPAC2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCSc1nc2nc(C)c(CC(=O)Nc3nc(CN4CCCCC4)cs3)c(C)n2n1
InChIInChI=1S/C19H25N7OS2/c1-12-15(13(2)26-17(20-12)23-19(24-26)28-3)9-16(27)22-18-21-14(11-29-18)10-25-7-5-4-6-8-25/h11H,4-10H2,1-3H3,(H,21,22,27)
InChIKeyAVACPNMYOXDBOU-UHFFFAOYSA-N
MW431.59 g/mol
LogP3.09
Rot. Bonds6

About 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide

2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 29329510) has the molecular formula C19H25N7OS2 and a molecular weight of 431.59 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID29329510
Molecular FormulaC19H25N7OS2
Molecular Weight431.59 g/mol
Exact Mass431.16
IUPAC Name2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCSc1nc2nc(C)c(CC(=O)Nc3nc(CN4CCCCC4)cs3)c(C)n2n1
InChIInChI=1S/C19H25N7OS2/c1-12-15(13(2)26-17(20-12)23-19(24-26)28-3)9-16(27)22-18-21-14(11-29-18)10-25-7-5-4-6-8-25/h11H,4-10H2,1-3H3,(H,21,22,27)
InChIKeyAVACPNMYOXDBOU-UHFFFAOYSA-N
XLogP3.09
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.59
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 55654646
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 42933473
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 30183840
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78837351
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 27826514
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 146127731
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16564179
N-(5-chloro-2-methylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 9046544
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 24640484
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 9043043
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pyridin-2-ylacetamide
CID 18162398
N-(3-chloro-2-methylphenyl)-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 17498993

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (CID 29329510) is 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide is CSc1nc2nc(C)c(CC(=O)Nc3nc(CN4CCCCC4)cs3)c(C)n2n1.
What is the InChIKey of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is AVACPNMYOXDBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7OS2/c1-12-15(13(2)26-17(20-12)23-19(24-26)28-3)9-16(27)22-18-21-14(11-29-18)10-25-7-5-4-6-8-25/h11H,4-10H2,1-3H3,(H,21,22,27).
What are the key properties of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 431.59 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 29329510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).