N-[(3-fluorophenyl)methyl]-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C19H20FN3OS2 — CID 7680634

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)N(C)Cc2cccc(F)c2)c2c(C)c(C)sc2n1
InChIInChI=1S/C19H20FN3OS2/c1-11-12(2)26-19-17(11)18(21-13(3)22-19)25-10-16(24)23(4)9-14-6-5-7-15(20)8-14/h5-8H,9-10H2,1-4H3
InChIKeyBJKZOFUEMXUZCJ-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.51
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-[(3-fluorophenyl)methyl]-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 7680634) has the molecular formula C19H20FN3OS2 and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID7680634
Molecular FormulaC19H20FN3OS2
Molecular Weight389.52 g/mol
Exact Mass389.10
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)N(C)Cc2cccc(F)c2)c2c(C)c(C)sc2n1
InChIInChI=1S/C19H20FN3OS2/c1-11-12(2)26-19-17(11)18(21-13(3)22-19)25-10-16(24)23(4)9-14-6-5-7-15(20)8-14/h5-8H,9-10H2,1-4H3
InChIKeyBJKZOFUEMXUZCJ-UHFFFAOYSA-N
XLogP4.51
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3-fluorophenyl)methyl]-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide 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-[(4-fluorophenyl)methyl]-N-methyl-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
CID 7887783
1-(2,5-difluorophenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 8952020
N-benzyl-N-methyl-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
CID 2612534
N-(4-methylphenyl)-2-[methyl-[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]acetamide
CID 4821403
(2S)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8521930
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 55578363
N-[(3-fluorophenyl)methyl]-N-methyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
CID 7886494
2-phenyl-N-[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]acetamide
CID 16567188
N-benzyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide
CID 39075440
(2R)-N-benzyl-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 7362687
4-[(3-bromophenyl)methylsulfanyl]-2,5,6-trimethylthieno[2,3-d]pyrimidine
CID 7362769
N-methyl-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide
CID 8577907

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 7680634) is N-[(3-fluorophenyl)methyl]-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)N(C)Cc2cccc(F)c2)c2c(C)c(C)sc2n1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is BJKZOFUEMXUZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS2/c1-11-12(2)26-19-17(11)18(21-13(3)22-19)25-10-16(24)23(4)9-14-6-5-7-15(20)8-14/h5-8H,9-10H2,1-4H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-[(3-fluorophenyl)methyl]-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 389.52 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 7680634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).