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

C25H27N5O3S2 — CID 24981266

IUPACN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)C3CCN(c4ncnc5sc(C)c(C)c45)CC3)n2)cc1OC
InChIInChI=1S/C25H27N5O3S2/c1-14-15(2)35-24-21(14)22(26-13-27-24)30-9-7-16(8-10-30)23(31)29-25-28-18(12-34-25)17-5-6-19(32-3)20(11-17)33-4/h5-6,11-13,16H,7-10H2,1-4H3,(H,28,29,31)
InChIKeyYTWFAJCIDYCHBH-UHFFFAOYSA-N
MW509.66 g/mol
LogP5.30
Rot. Bonds6

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

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 24981266) has the molecular formula C25H27N5O3S2 and a molecular weight of 509.66 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID24981266
Molecular FormulaC25H27N5O3S2
Molecular Weight509.66 g/mol
Exact Mass509.16
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)C3CCN(c4ncnc5sc(C)c(C)c45)CC3)n2)cc1OC
InChIInChI=1S/C25H27N5O3S2/c1-14-15(2)35-24-21(14)22(26-13-27-24)30-9-7-16(8-10-30)23(31)29-25-28-18(12-34-25)17-5-6-19(32-3)20(11-17)33-4/h5-6,11-13,16H,7-10H2,1-4H3,(H,28,29,31)
InChIKeyYTWFAJCIDYCHBH-UHFFFAOYSA-N
XLogP5.30
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.66
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 24981266) is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is COc1ccc(-c2csc(NC(=O)C3CCN(c4ncnc5sc(C)c(C)c45)CC3)n2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is YTWFAJCIDYCHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S2/c1-14-15(2)35-24-21(14)22(26-13-27-24)30-9-7-16(8-10-30)23(31)29-25-28-18(12-34-25)17-5-6-19(32-3)20(11-17)33-4/h5-6,11-13,16H,7-10H2,1-4H3,(H,28,29,31).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 509.66 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 24981266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).