N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide

C18H16N6OS2 — CID 146147686

IUPACN-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide
SMILESCc1nnc(Sc2ccc(NC(=O)Cn3ncc4ncccc43)c(C)c2)s1
InChIInChI=1S/C18H16N6OS2/c1-11-8-13(27-18-23-22-12(2)26-18)5-6-14(11)21-17(25)10-24-16-4-3-7-19-15(16)9-20-24/h3-9H,10H2,1-2H3,(H,21,25)
InChIKeyXRRFOPFCNFEKMQ-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.69
Rot. Bonds5

About N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide

N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide (PubChem CID 146147686) has the molecular formula C18H16N6OS2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide
PubChem CID146147686
Molecular FormulaC18H16N6OS2
Molecular Weight396.50 g/mol
Exact Mass396.08
IUPAC NameN-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide
SMILESCc1nnc(Sc2ccc(NC(=O)Cn3ncc4ncccc43)c(C)c2)s1
InChIInChI=1S/C18H16N6OS2/c1-11-8-13(27-18-23-22-12(2)26-18)5-6-14(11)21-17(25)10-24-16-4-3-7-19-15(16)9-20-24/h3-9H,10H2,1-2H3,(H,21,25)
InChIKeyXRRFOPFCNFEKMQ-UHFFFAOYSA-N
XLogP3.69
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]butanamide;hydrochloride
CID 119313528
N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 86878166
2-methyl-3-(methylamino)-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propanamide;hydrochloride
CID 119766293
3-amino-N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]cyclopentane-1-carboxamide
CID 119766280
N-(4-iodo-2-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2210749
2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334
tert-butyl 2-pyrazolo[4,5-b]pyridin-1-ylacetate
CID 70817224
N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141660
4-amino-3-methoxy-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)butanamide
CID 120591213
N-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 845504
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024521
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024665

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide?
The IUPAC name of N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide (CID 146147686) is N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide.
What is the SMILES notation for N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide?
The canonical SMILES for N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide is Cc1nnc(Sc2ccc(NC(=O)Cn3ncc4ncccc43)c(C)c2)s1.
What is the InChIKey of N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide?
The InChIKey is XRRFOPFCNFEKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS2/c1-11-8-13(27-18-23-22-12(2)26-18)5-6-14(11)21-17(25)10-24-16-4-3-7-19-15(16)9-20-24/h3-9H,10H2,1-2H3,(H,21,25).
What are the key properties of N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide?
N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide has a molecular weight of 396.50 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide is sourced from PubChem (CID 146147686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).