2-cyclopropyl-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

C21H18N4O2S — CID 55825169

IUPAC2-cyclopropyl-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)Nc3cccc(-c4cnco4)c3)c(C)c12
InChIInChI=1S/C21H18N4O2S/c1-11-17-12(2)23-19(13-6-7-13)25-21(17)28-18(11)20(26)24-15-5-3-4-14(8-15)16-9-22-10-27-16/h3-5,8-10,13H,6-7H2,1-2H3,(H,24,26)
InChIKeyYECSEVTURYCFFM-UHFFFAOYSA-N
MW390.47 g/mol
LogP5.09
Rot. Bonds4

About 2-cyclopropyl-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

2-cyclopropyl-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55825169) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-cyclopropyl-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55825169
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name2-cyclopropyl-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)Nc3cccc(-c4cnco4)c3)c(C)c12
InChIInChI=1S/C21H18N4O2S/c1-11-17-12(2)23-19(13-6-7-13)25-21(17)28-18(11)20(26)24-15-5-3-4-14(8-15)16-9-22-10-27-16/h3-5,8-10,13H,6-7H2,1-2H3,(H,24,26)
InChIKeyYECSEVTURYCFFM-UHFFFAOYSA-N
XLogP5.09
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

2-cyclopropyl-N-(3-methoxyphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671862
N-(3-chloro-4-methylphenyl)-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539056
N-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33206224
2-cyclopropyl-4,5-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 43052063
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30706996
2-cyclopropyl-N-(6-methoxy-3-pyridinyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539036
2-cyclopropyl-4,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24659915
2-cyclopropyl-4,5-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46475614
2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 33283292
N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46666183
2-(furan-2-yl)-5-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 55834234
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide
CID 47051399

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-cyclopropyl-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 55825169) is 2-cyclopropyl-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C2CC2)nc2sc(C(=O)Nc3cccc(-c4cnco4)c3)c(C)c12.
What is the InChIKey of 2-cyclopropyl-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YECSEVTURYCFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-11-17-12(2)23-19(13-6-7-13)25-21(17)28-18(11)20(26)24-15-5-3-4-14(8-15)16-9-22-10-27-16/h3-5,8-10,13H,6-7H2,1-2H3,(H,24,26).
What are the key properties of 2-cyclopropyl-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
2-cyclopropyl-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55825169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).