2-ethyl-4,5-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide

C21H21N5OS2 — CID 166222797

IUPAC2-ethyl-4,5-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1nc(C)c2c(C)c(C(=O)NCCc3nc(-c4ccncc4)cs3)sc2n1
InChIInChI=1S/C21H21N5OS2/c1-4-16-24-13(3)18-12(2)19(29-21(18)26-16)20(27)23-10-7-17-25-15(11-28-17)14-5-8-22-9-6-14/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,23,27)
InChIKeyVEHSKWMSMXMSML-UHFFFAOYSA-N
MW423.57 g/mol
LogP4.36
Rot. Bonds6

About 2-ethyl-4,5-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide

2-ethyl-4,5-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 166222797) has the molecular formula C21H21N5OS2 and a molecular weight of 423.57 g/mol. Its IUPAC name is 2-ethyl-4,5-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-4,5-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID166222797
Molecular FormulaC21H21N5OS2
Molecular Weight423.57 g/mol
Exact Mass423.12
IUPAC Name2-ethyl-4,5-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1nc(C)c2c(C)c(C(=O)NCCc3nc(-c4ccncc4)cs3)sc2n1
InChIInChI=1S/C21H21N5OS2/c1-4-16-24-13(3)18-12(2)19(29-21(18)26-16)20(27)23-10-7-17-25-15(11-28-17)14-5-8-22-9-6-14/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,23,27)
InChIKeyVEHSKWMSMXMSML-UHFFFAOYSA-N
XLogP4.36
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.57
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-4,5-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

ethyl 2-oxo-2-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylamino]acetate
CID 110317808
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 110317749
5-[[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 75429505
(2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119874734
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-(furan-2-ylmethylamino)-5-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26347532
N-(3,4-difluorophenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33475880
N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33394339
3-bromo-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]thiophene-2-carboxamide
CID 56520287
N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110647210
N-(5-tert-butyl-2-hydroxyphenyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 18228324

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-ethyl-4,5-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 166222797) is 2-ethyl-4,5-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-ethyl-4,5-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-ethyl-4,5-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide is CCc1nc(C)c2c(C)c(C(=O)NCCc3nc(-c4ccncc4)cs3)sc2n1.
What is the InChIKey of 2-ethyl-4,5-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VEHSKWMSMXMSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS2/c1-4-16-24-13(3)18-12(2)19(29-21(18)26-16)20(27)23-10-7-17-25-15(11-28-17)14-5-8-22-9-6-14/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,23,27).
What are the key properties of 2-ethyl-4,5-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
2-ethyl-4,5-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 423.57 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 166222797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).