N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C16H15N5O2S — CID 51088106

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCOc1cc(CNC(=O)c2sc(-c3ncccn3)nc2C)ccn1
InChIInChI=1S/C16H15N5O2S/c1-10-13(24-16(21-10)14-18-5-3-6-19-14)15(22)20-9-11-4-7-17-12(8-11)23-2/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyBPOQFEGEOLUTGU-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.24
Rot. Bonds5

About N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 51088106) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID51088106
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCOc1cc(CNC(=O)c2sc(-c3ncccn3)nc2C)ccn1
InChIInChI=1S/C16H15N5O2S/c1-10-13(24-16(21-10)14-18-5-3-6-19-14)15(22)20-9-11-4-7-17-12(8-11)23-2/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyBPOQFEGEOLUTGU-UHFFFAOYSA-N
XLogP2.24
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-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

N-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47146135
N-[(3-carbamoylphenyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55872207
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 56523982
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55873365
N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55894701
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 51089635
4-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59580001
N-(3-aminopropyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 119408938
4-amino-2-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 116665794
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide
CID 62990733
3-[[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
CID 167969718

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 51088106) is N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is COc1cc(CNC(=O)c2sc(-c3ncccn3)nc2C)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BPOQFEGEOLUTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-10-13(24-16(21-10)14-18-5-3-6-19-14)15(22)20-9-11-4-7-17-12(8-11)23-2/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 341.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51088106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).