N-[2-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide

C18H15N5O2S — CID 110219303

IUPACN-[2-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCN1c2ncccc2C(=O)NC1c1ccccc1NC(=O)c1cscn1
InChIInChI=1S/C18H15N5O2S/c1-23-15-12(6-4-8-19-15)17(24)22-16(23)11-5-2-3-7-13(11)21-18(25)14-9-26-10-20-14/h2-10,16H,1H3,(H,21,25)(H,22,24)
InChIKeySYSLDMOVFWUWFQ-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.67
Rot. Bonds3

About N-[2-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide

N-[2-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 110219303) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-[2-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID110219303
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC NameN-[2-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCN1c2ncccc2C(=O)NC1c1ccccc1NC(=O)c1cscn1
InChIInChI=1S/C18H15N5O2S/c1-23-15-12(6-4-8-19-15)17(24)22-16(23)11-5-2-3-7-13(11)21-18(25)14-9-26-10-20-14/h2-10,16H,1H3,(H,21,25)(H,22,24)
InChIKeySYSLDMOVFWUWFQ-UHFFFAOYSA-N
XLogP2.67
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 110219303) is N-[2-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide is CN1c2ncccc2C(=O)NC1c1ccccc1NC(=O)c1cscn1.
What is the InChIKey of N-[2-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SYSLDMOVFWUWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-23-15-12(6-4-8-19-15)17(24)22-16(23)11-5-2-3-7-13(11)21-18(25)14-9-26-10-20-14/h2-10,16H,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
N-[2-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110219303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).