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

C23H25N5O2S — CID 23734246

IUPAC2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(N-methyl-4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N(C)c2ccc(C(C)C)cc2)c2c(C)c(C(=O)Nc3cc(C)on3)sc2n1
InChIInChI=1S/C23H25N5O2S/c1-12(2)16-7-9-17(10-8-16)28(6)21-19-14(4)20(31-23(19)25-15(5)24-21)22(29)26-18-11-13(3)30-27-18/h7-12H,1-6H3,(H,26,27,29)
InChIKeyPJKDWBHWDHEBLC-UHFFFAOYSA-N
MW435.55 g/mol
LogP5.75
Rot. Bonds5

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

2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(N-methyl-4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 23734246) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(N-methyl-4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(N-methyl-4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID23734246
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Name2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(N-methyl-4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N(C)c2ccc(C(C)C)cc2)c2c(C)c(C(=O)Nc3cc(C)on3)sc2n1
InChIInChI=1S/C23H25N5O2S/c1-12(2)16-7-9-17(10-8-16)28(6)21-19-14(4)20(31-23(19)25-15(5)24-21)22(29)26-18-11-13(3)30-27-18/h7-12H,1-6H3,(H,26,27,29)
InChIKeyPJKDWBHWDHEBLC-UHFFFAOYSA-N
XLogP5.75
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 647187
Notum pectinacetylesterase-1
CID 859554
N-(5-Methyl-isoxazol-3-yl)-2-(2,5,6-trimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetamide
CID 653561
2-(2-Cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1466867
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
CID 2612492
2-(2-Isopropyl-7-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 3200141
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[(6-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 162644443
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 162668446
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]acetamide
CID 162675457
3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1086352
2-(2-Ethyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 645193
2-[(2-cyclopropyl-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 650327

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(N-methyl-4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(N-methyl-4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 23734246) is 2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(N-methyl-4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(N-methyl-4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(N-methyl-4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(N(C)c2ccc(C(C)C)cc2)c2c(C)c(C(=O)Nc3cc(C)on3)sc2n1.
What is the InChIKey of 2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(N-methyl-4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is PJKDWBHWDHEBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-12(2)16-7-9-17(10-8-16)28(6)21-19-14(4)20(31-23(19)25-15(5)24-21)22(29)26-18-11-13(3)30-27-18/h7-12H,1-6H3,(H,26,27,29).
What are the key properties of 2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(N-methyl-4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxamide?
2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(N-methyl-4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(N-methyl-4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 23734246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).