2,4-dimethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide

C16H21N5OS — CID 72718291

IUPAC2,4-dimethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCCC2)n1
InChIInChI=1S/C16H21N5OS/c1-10-8-13(20-16(18-10)21-6-4-5-7-21)9-17-15(22)14-11(2)19-12(3)23-14/h8H,4-7,9H2,1-3H3,(H,17,22)
InChIKeyGQEYVLJUQCJEOP-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.39
Rot. Bonds4

About 2,4-dimethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 72718291) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID72718291
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name2,4-dimethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCCC2)n1
InChIInChI=1S/C16H21N5OS/c1-10-8-13(20-16(18-10)21-6-4-5-7-21)9-17-15(22)14-11(2)19-12(3)23-14/h8H,4-7,9H2,1-3H3,(H,17,22)
InChIKeyGQEYVLJUQCJEOP-UHFFFAOYSA-N
XLogP2.39
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[2-[(4,6-Dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 709431
1-(4-Cyclohexylpiperazin-1-yl)-2-(2-((4,6-dimethylpyrimidin-2-yl)amino)thiazol-4-yl)ethanone
CID 49669831
2,4-dimethyl-N-(2-((6-(pyrrolidin-1-yl)pyrimidin-4-yl)amino)ethyl)thiazole-5-carboxamide
CID 56921918
2,4-dimethyl-N-[(1r,4r)-4-[(4,6-dimethylpyrimidin-2-yl)oxy]cyclohexyl]-1,3-thiazole-5-carboxamide
CID 91626460
2-(2-(2-((4,6-dimethylpyrimidin-2-yl)amino)thiazol-4-yl)acetamido)-N,N,4-trimethylthiazole-5-carboxamide
CID 49677942
2-(2-((4,6-dimethylpyrimidin-2-yl)amino)thiazol-4-yl)-N-ethylacetamide
CID 49670866
N-(2-((4-(dimethylamino)-6-methylpyrimidin-2-yl)amino)ethyl)-2,4-dimethylthiazole-5-carboxamide
CID 49676089
2-Amino-6-methyl-N-[2-(4-methyl-1,3-thiazol-2-YL)propyl]pyrimidine-4-carboxamide
CID 118789124
2,4-dimethyl-N-((6-methylpyrimidin-4-yl)methyl)thiazole-5-carboxamide
CID 122263300
2-(cyclopropylmethyl)-N-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 128475001
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 129355086
2-Ethyl-4-methyl-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-YL]ethyl}-1,3-thiazole-5-carboxamide
CID 50966775

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide (CID 72718291) is 2,4-dimethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1cc(CNC(=O)c2sc(C)nc2C)nc(N2CCCC2)n1.
What is the InChIKey of 2,4-dimethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GQEYVLJUQCJEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-10-8-13(20-16(18-10)21-6-4-5-7-21)9-17-15(22)14-11(2)19-12(3)23-14/h8H,4-7,9H2,1-3H3,(H,17,22).
What are the key properties of 2,4-dimethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 331.45 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 72718291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).