N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide

C15H20N6O2S — CID 110124434

IUPACN-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)c1cc(N2CCC(O)(CNC(=O)c3cscn3)C2)ncn1
InChIInChI=1S/C15H20N6O2S/c1-20(2)12-5-13(18-9-17-12)21-4-3-15(23,8-21)7-16-14(22)11-6-24-10-19-11/h5-6,9-10,23H,3-4,7-8H2,1-2H3,(H,16,22)
InChIKeyYMLWLUNFLBFIGP-UHFFFAOYSA-N
MW348.43 g/mol
LogP0.37
Rot. Bonds5

About N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide

N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 110124434) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID110124434
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC NameN-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)c1cc(N2CCC(O)(CNC(=O)c3cscn3)C2)ncn1
InChIInChI=1S/C15H20N6O2S/c1-20(2)12-5-13(18-9-17-12)21-4-3-15(23,8-21)7-16-14(22)11-6-24-10-19-11/h5-6,9-10,23H,3-4,7-8H2,1-2H3,(H,16,22)
InChIKeyYMLWLUNFLBFIGP-UHFFFAOYSA-N
XLogP0.37
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide (CID 110124434) is N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide is CN(C)c1cc(N2CCC(O)(CNC(=O)c3cscn3)C2)ncn1.
What is the InChIKey of N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YMLWLUNFLBFIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-20(2)12-5-13(18-9-17-12)21-4-3-15(23,8-21)7-16-14(22)11-6-24-10-19-11/h5-6,9-10,23H,3-4,7-8H2,1-2H3,(H,16,22).
What are the key properties of N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110124434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).