1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C23H22FN5OS2 — CID 24979679

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)Nc4nc(-c5ccc(F)cc5)cs4)CC3)c2c1C
InChIInChI=1S/C23H22FN5OS2/c1-13-14(2)32-22-19(13)20(25-12-26-22)29-9-7-16(8-10-29)21(30)28-23-27-18(11-31-23)15-3-5-17(24)6-4-15/h3-6,11-12,16H,7-10H2,1-2H3,(H,27,28,30)
InChIKeyPWOUSWNUTVECSI-UHFFFAOYSA-N
MW467.60 g/mol
LogP5.43
Rot. Bonds4

About 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 24979679) has the molecular formula C23H22FN5OS2 and a molecular weight of 467.60 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID24979679
Molecular FormulaC23H22FN5OS2
Molecular Weight467.60 g/mol
Exact Mass467.12
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)Nc4nc(-c5ccc(F)cc5)cs4)CC3)c2c1C
InChIInChI=1S/C23H22FN5OS2/c1-13-14(2)32-22-19(13)20(25-12-26-22)29-9-7-16(8-10-29)21(30)28-23-27-18(11-31-23)15-3-5-17(24)6-4-15/h3-6,11-12,16H,7-10H2,1-2H3,(H,27,28,30)
InChIKeyPWOUSWNUTVECSI-UHFFFAOYSA-N
XLogP5.43
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.60
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 24979679) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is Cc1sc2ncnc(N3CCC(C(=O)Nc4nc(-c5ccc(F)cc5)cs4)CC3)c2c1C.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is PWOUSWNUTVECSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5OS2/c1-13-14(2)32-22-19(13)20(25-12-26-22)29-9-7-16(8-10-29)21(30)28-23-27-18(11-31-23)15-3-5-17(24)6-4-15/h3-6,11-12,16H,7-10H2,1-2H3,(H,27,28,30).
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 467.60 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 24979679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).