5-[[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide

C18H16N4OS3 — CID 156555279

IUPAC5-[[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide
SMILESCc1nc(NCc2ccc(S(N)=O)s2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C18H16N4OS3/c1-11-21-17(20-9-13-7-8-15(25-13)26(19)23)16-14(10-24-18(16)22-11)12-5-3-2-4-6-12/h2-8,10H,9,19H2,1H3,(H,20,21,22)
InChIKeyGBTCLFRMDRYPFF-UHFFFAOYSA-N
MW400.55 g/mol
LogP4.32
Rot. Bonds5

About 5-[[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide

5-[[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide (PubChem CID 156555279) has the molecular formula C18H16N4OS3 and a molecular weight of 400.55 g/mol. Its IUPAC name is 5-[[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide.

Molecular Properties

Compound Name5-[[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide
PubChem CID156555279
Molecular FormulaC18H16N4OS3
Molecular Weight400.55 g/mol
Exact Mass400.05
IUPAC Name5-[[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide
SMILESCc1nc(NCc2ccc(S(N)=O)s2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C18H16N4OS3/c1-11-21-17(20-9-13-7-8-15(25-13)26(19)23)16-14(10-24-18(16)22-11)12-5-3-2-4-6-12/h2-8,10H,9,19H2,1H3,(H,20,21,22)
InChIKeyGBTCLFRMDRYPFF-UHFFFAOYSA-N
XLogP4.32
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide with MolForge

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Related Compounds

(1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol
CID 9311855
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9211978
2-methyl-N-(3-morpholin-4-ylpropyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9280306
N'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 28852901
N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133433969
1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 75422132
2-ethyl-N-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 68622626
N-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 68621787
2-methyl-5-phenyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 99802723
N,N-dimethyl-2-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pyrazol-1-yl]acetamide
CID 133276092
2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28848884
N'-[5-(4-ethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
CID 28853164

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide?
The IUPAC name of 5-[[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide (CID 156555279) is 5-[[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide.
What is the SMILES notation for 5-[[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide?
The canonical SMILES for 5-[[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide is Cc1nc(NCc2ccc(S(N)=O)s2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 5-[[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide?
The InChIKey is GBTCLFRMDRYPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS3/c1-11-21-17(20-9-13-7-8-15(25-13)26(19)23)16-14(10-24-18(16)22-11)12-5-3-2-4-6-12/h2-8,10H,9,19H2,1H3,(H,20,21,22).
What are the key properties of 5-[[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide?
5-[[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide has a molecular weight of 400.55 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide is sourced from PubChem (CID 156555279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).