N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C23H25N5O2S2 — CID 26352818

IUPACN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCCNc1ncnc2sc(C(=O)NCc3csc(Cc4ccccc4)n3)c(C)c12
InChIInChI=1S/C23H25N5O2S2/c1-15-19-21(24-9-6-10-30-2)26-14-27-23(19)32-20(15)22(29)25-12-17-13-31-18(28-17)11-16-7-4-3-5-8-16/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H,25,29)(H,24,26,27)
InChIKeyOPNIBBQZGMOBMG-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.43
Rot. Bonds10

About N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 26352818) has the molecular formula C23H25N5O2S2 and a molecular weight of 467.62 g/mol. Its IUPAC name is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID26352818
Molecular FormulaC23H25N5O2S2
Molecular Weight467.62 g/mol
Exact Mass467.14
IUPAC NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCCNc1ncnc2sc(C(=O)NCc3csc(Cc4ccccc4)n3)c(C)c12
InChIInChI=1S/C23H25N5O2S2/c1-15-19-21(24-9-6-10-30-2)26-14-27-23(19)32-20(15)22(29)25-12-17-13-31-18(28-17)11-16-7-4-3-5-8-16/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H,25,29)(H,24,26,27)
InChIKeyOPNIBBQZGMOBMG-UHFFFAOYSA-N
XLogP4.43
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(1-methoxypropan-2-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 45179740
4-(3-methoxypropylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 42449732
N-[(2R)-1-methoxypropan-2-yl]-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 42430333
4-(2-methoxyethylamino)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26276087
4-[[(2S)-1-methoxypropan-2-yl]amino]-5-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42538755
4-[[(2R)-1-methoxypropan-2-yl]amino]-5-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42538754
[4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 42397338
N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45218523
2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 110436454
4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42541545
N-(3-ethoxypropyl)-4-(ethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42436205
ethyl 5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 733147

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 26352818) is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is COCCCNc1ncnc2sc(C(=O)NCc3csc(Cc4ccccc4)n3)c(C)c12.
What is the InChIKey of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is OPNIBBQZGMOBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S2/c1-15-19-21(24-9-6-10-30-2)26-14-27-23(19)32-20(15)22(29)25-12-17-13-31-18(28-17)11-16-7-4-3-5-8-16/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H,25,29)(H,24,26,27).
What are the key properties of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 467.62 g/mol, XLogP of 4.43, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 26352818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).