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

C23H25N5O2S2 — CID 45179740

IUPACN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(1-methoxypropan-2-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCC(C)Nc1ncnc2sc(C(=O)NCc3csc(Cc4ccccc4)n3)c(C)c12
InChIInChI=1S/C23H25N5O2S2/c1-14(11-30-3)27-21-19-15(2)20(32-23(19)26-13-25-21)22(29)24-10-17-12-31-18(28-17)9-16-7-5-4-6-8-16/h4-8,12-14H,9-11H2,1-3H3,(H,24,29)(H,25,26,27)
InChIKeyBYQNNYLCKJYSSX-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.42
Rot. Bonds9

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

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(1-methoxypropan-2-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 45179740) 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-(1-methoxypropan-2-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(1-methoxypropan-2-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID45179740
Molecular FormulaC23H25N5O2S2
Molecular Weight467.62 g/mol
Exact Mass467.14
IUPAC NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(1-methoxypropan-2-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCC(C)Nc1ncnc2sc(C(=O)NCc3csc(Cc4ccccc4)n3)c(C)c12
InChIInChI=1S/C23H25N5O2S2/c1-14(11-30-3)27-21-19-15(2)20(32-23(19)26-13-25-21)22(29)24-10-17-12-31-18(28-17)9-16-7-5-4-6-8-16/h4-8,12-14H,9-11H2,1-3H3,(H,24,29)(H,25,26,27)
InChIKeyBYQNNYLCKJYSSX-UHFFFAOYSA-N
XLogP4.42
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26352818
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
N-[(2R)-1-methoxypropan-2-yl]-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 42430333
4-[[(2R)-1-methoxybutan-2-yl]amino]-5-methyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26351700
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide
CID 108737632
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide
CID 108737581
N-(3-ethoxypropyl)-4-[[(2R)-1-methoxybutan-2-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42162402
(2S)-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 99972085
2-methoxyethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 21012399
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide
CID 108760512
N-(2-acetamidoethyl)-5-methyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26334572

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(1-methoxypropan-2-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(1-methoxypropan-2-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 45179740) is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(1-methoxypropan-2-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(1-methoxypropan-2-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(1-methoxypropan-2-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is COCC(C)Nc1ncnc2sc(C(=O)NCc3csc(Cc4ccccc4)n3)c(C)c12.
What is the InChIKey of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(1-methoxypropan-2-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BYQNNYLCKJYSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S2/c1-14(11-30-3)27-21-19-15(2)20(32-23(19)26-13-25-21)22(29)24-10-17-12-31-18(28-17)9-16-7-5-4-6-8-16/h4-8,12-14H,9-11H2,1-3H3,(H,24,29)(H,25,26,27).
What are the key properties of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(1-methoxypropan-2-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(1-methoxypropan-2-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 467.62 g/mol, XLogP of 4.42, 9 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-(1-methoxypropan-2-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 45179740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).