N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide

C15H17N5OS2 — CID 17458285

IUPACN-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)CSc1ncnc2c1cnn2C
InChIInChI=1S/C15H17N5OS2/c1-3-20(8-11-5-4-6-22-11)13(21)9-23-15-12-7-18-19(2)14(12)16-10-17-15/h4-7,10H,3,8-9H2,1-2H3
InChIKeyKAQCREYMTQLSMZ-UHFFFAOYSA-N
MW347.47 g/mol
LogP2.57
Rot. Bonds6

About N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide

N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 17458285) has the molecular formula C15H17N5OS2 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID17458285
Molecular FormulaC15H17N5OS2
Molecular Weight347.47 g/mol
Exact Mass347.09
IUPAC NameN-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)CSc1ncnc2c1cnn2C
InChIInChI=1S/C15H17N5OS2/c1-3-20(8-11-5-4-6-22-11)13(21)9-23-15-12-7-18-19(2)14(12)16-10-17-15/h4-7,10H,3,8-9H2,1-2H3
InChIKeyKAQCREYMTQLSMZ-UHFFFAOYSA-N
XLogP2.57
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 18141119
1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanone
CID 24602131
N,N-diethyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 862680
methyl 2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetate
CID 42103957
N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 42104675
1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanone
CID 42106217
N,N-diethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 47145992
N-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 16507640
N-[(1R)-1-(furan-2-yl)ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 42106676
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55494988
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 8916937

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 17458285) is N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is CCN(Cc1cccs1)C(=O)CSc1ncnc2c1cnn2C.
What is the InChIKey of N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KAQCREYMTQLSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS2/c1-3-20(8-11-5-4-6-22-11)13(21)9-23-15-12-7-18-19(2)14(12)16-10-17-15/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 347.47 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 17458285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).