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

C15H19N5OS — CID 124947769

IUPACN-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ncc(CNC(=O)c2cscn2)c([C@H]2CCCN2C)n1
InChIInChI=1S/C15H19N5OS/c1-10-16-6-11(7-17-15(21)12-8-22-9-18-12)14(19-10)13-4-3-5-20(13)2/h6,8-9,13H,3-5,7H2,1-2H3,(H,17,21)/t13-/m1/s1
InChIKeyCHWACLBYJLXEMW-CYBMUJFWSA-N
MW317.42 g/mol
LogP1.94
Rot. Bonds4

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

N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 124947769) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID124947769
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ncc(CNC(=O)c2cscn2)c([C@H]2CCCN2C)n1
InChIInChI=1S/C15H19N5OS/c1-10-16-6-11(7-17-15(21)12-8-22-9-18-12)14(19-10)13-4-3-5-20(13)2/h6,8-9,13H,3-5,7H2,1-2H3,(H,17,21)/t13-/m1/s1
InChIKeyCHWACLBYJLXEMW-CYBMUJFWSA-N
XLogP1.94
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide (CID 124947769) is N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide is Cc1ncc(CNC(=O)c2cscn2)c([C@H]2CCCN2C)n1.
What is the InChIKey of N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CHWACLBYJLXEMW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-10-16-6-11(7-17-15(21)12-8-22-9-18-12)14(19-10)13-4-3-5-20(13)2/h6,8-9,13H,3-5,7H2,1-2H3,(H,17,21)/t13-/m1/s1.
What are the key properties of N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 124947769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).