N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C13H15Cl2N5OS — CID 2470660

IUPACN-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nc(NC(=O)CSc2nncn2C(C)C)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N5OS/c1-7(2)20-6-16-19-13(20)22-5-11(21)18-12-10(15)4-9(14)8(3)17-12/h4,6-7H,5H2,1-3H3,(H,17,18,21)
InChIKeyYCNRHRYAPXQLPX-UHFFFAOYSA-N
MW360.27 g/mol
LogP3.60
Rot. Bonds5

About N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2470660) has the molecular formula C13H15Cl2N5OS and a molecular weight of 360.27 g/mol. Its IUPAC name is N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2470660
Molecular FormulaC13H15Cl2N5OS
Molecular Weight360.27 g/mol
Exact Mass359.04
IUPAC NameN-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nc(NC(=O)CSc2nncn2C(C)C)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N5OS/c1-7(2)20-6-16-19-13(20)22-5-11(21)18-12-10(15)4-9(14)8(3)17-12/h4,6-7H,5H2,1-3H3,(H,17,18,21)
InChIKeyYCNRHRYAPXQLPX-UHFFFAOYSA-N
XLogP3.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

N-(4-propan-2-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7675740
N-(3-chloro-4-cyanophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7675538
2-(2-chlorophenyl)sulfanyl-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide
CID 5028291
N-(3-methylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7675745
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7352480
N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4530937
N'-acetyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 7675458
N-(4-iodophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4819087
2-(4-acetamidophenyl)sulfanyl-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide
CID 2526440
N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-naphthalen-2-ylsulfanylacetamide
CID 7793089
N-(methylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7352435
N-[(2S)-2-hydroxypropyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 83029926

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2470660) is N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1nc(NC(=O)CSc2nncn2C(C)C)c(Cl)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is YCNRHRYAPXQLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N5OS/c1-7(2)20-6-16-19-13(20)22-5-11(21)18-12-10(15)4-9(14)8(3)17-12/h4,6-7H,5H2,1-3H3,(H,17,18,21).
What are the key properties of N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 360.27 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2470660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).