4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C15H15N5OS — CID 122263393

IUPAC4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2sc(-n3cccc3)nc2C)ncn1
InChIInChI=1S/C15H15N5OS/c1-10-7-12(18-9-17-10)8-16-14(21)13-11(2)19-15(22-13)20-5-3-4-6-20/h3-7,9H,8H2,1-2H3,(H,16,21)
InChIKeyFWCNLOFIZPSLDI-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.27
Rot. Bonds4

About 4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 122263393) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID122263393
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2sc(-n3cccc3)nc2C)ncn1
InChIInChI=1S/C15H15N5OS/c1-10-7-12(18-9-17-10)8-16-14(21)13-11(2)19-15(22-13)20-5-3-4-6-20/h3-7,9H,8H2,1-2H3,(H,16,21)
InChIKeyFWCNLOFIZPSLDI-UHFFFAOYSA-N
XLogP2.27
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53013907
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 42581776
4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122263537
N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 29133126
4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 20889831
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 121119662
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 121196771
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 110205611
N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263436
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 45369646
2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 70846240
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 121120019

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 122263393) is 4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is Cc1cc(CNC(=O)c2sc(-n3cccc3)nc2C)ncn1.
What is the InChIKey of 4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is FWCNLOFIZPSLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-10-7-12(18-9-17-10)8-16-14(21)13-11(2)19-15(22-13)20-5-3-4-6-20/h3-7,9H,8H2,1-2H3,(H,16,21).
What are the key properties of 4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122263393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).