2-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide

C24H23N7O4S — CID 139995036

IUPAC2-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CNc2ncc(-c3nc(C(=O)N(C)C)cs3)c3nc(-c4ccco4)nn23)cc1OC
InChIInChI=1S/C24H23N7O4S/c1-30(2)23(32)16-13-36-22(27-16)15-12-26-24(25-11-14-7-8-17(33-3)19(10-14)34-4)31-21(15)28-20(29-31)18-6-5-9-35-18/h5-10,12-13H,11H2,1-4H3,(H,25,26)
InChIKeyRVRPTLGLFLYAGK-UHFFFAOYSA-N
MW505.56 g/mol
LogP3.84
Rot. Bonds8

About 2-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide

2-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 139995036) has the molecular formula C24H23N7O4S and a molecular weight of 505.56 g/mol. Its IUPAC name is 2-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID139995036
Molecular FormulaC24H23N7O4S
Molecular Weight505.56 g/mol
Exact Mass505.15
IUPAC Name2-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CNc2ncc(-c3nc(C(=O)N(C)C)cs3)c3nc(-c4ccco4)nn23)cc1OC
InChIInChI=1S/C24H23N7O4S/c1-30(2)23(32)16-13-36-22(27-16)15-12-26-24(25-11-14-7-8-17(33-3)19(10-14)34-4)31-21(15)28-20(29-31)18-6-5-9-35-18/h5-10,12-13H,11H2,1-4H3,(H,25,26)
InChIKeyRVRPTLGLFLYAGK-UHFFFAOYSA-N
XLogP3.84
TPSA119.91 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.56
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide (CID 139995036) is 2-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide is COc1ccc(CNc2ncc(-c3nc(C(=O)N(C)C)cs3)c3nc(-c4ccco4)nn23)cc1OC.
What is the InChIKey of 2-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is RVRPTLGLFLYAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O4S/c1-30(2)23(32)16-13-36-22(27-16)15-12-26-24(25-11-14-7-8-17(33-3)19(10-14)34-4)31-21(15)28-20(29-31)18-6-5-9-35-18/h5-10,12-13H,11H2,1-4H3,(H,25,26).
What are the key properties of 2-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
2-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 505.56 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 139995036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).