N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C19H14F2N4OS3 — CID 2512056

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1sc2ncnc(SCC(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)c2c1C
InChIInChI=1S/C19H14F2N4OS3/c1-9-10(2)29-18-16(9)17(22-8-23-18)27-7-15(26)25-19-24-14(6-28-19)11-3-4-12(20)13(21)5-11/h3-6,8H,7H2,1-2H3,(H,24,25,26)
InChIKeyMBCLYMXZCZIWEO-UHFFFAOYSA-N
MW448.55 g/mol
LogP5.44
Rot. Bonds5

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 2512056) has the molecular formula C19H14F2N4OS3 and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID2512056
Molecular FormulaC19H14F2N4OS3
Molecular Weight448.55 g/mol
Exact Mass448.03
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1sc2ncnc(SCC(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)c2c1C
InChIInChI=1S/C19H14F2N4OS3/c1-9-10(2)29-18-16(9)17(22-8-23-18)27-7-15(26)25-19-24-14(6-28-19)11-3-4-12(20)13(21)5-11/h3-6,8H,7H2,1-2H3,(H,24,25,26)
InChIKeyMBCLYMXZCZIWEO-UHFFFAOYSA-N
XLogP5.44
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.55
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethylthieno[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

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 2512056) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is Cc1sc2ncnc(SCC(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)c2c1C.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is MBCLYMXZCZIWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4OS3/c1-9-10(2)29-18-16(9)17(22-8-23-18)27-7-15(26)25-19-24-14(6-28-19)11-3-4-12(20)13(21)5-11/h3-6,8H,7H2,1-2H3,(H,24,25,26).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 448.55 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 2512056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).