N-[5-[[3-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H22N6OS — CID 155103795

IUPACN-[5-[[3-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC(CNc3cc(C)nc(C)n3)C2)s1
InChIInChI=1S/C16H22N6OS/c1-10-4-15(20-11(2)19-10)17-5-13-7-22(8-13)9-14-6-18-16(24-14)21-12(3)23/h4,6,13H,5,7-9H2,1-3H3,(H,17,19,20)(H,18,21,23)
InChIKeyZFINDTXVEMIKNR-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.05
Rot. Bonds6

About N-[5-[[3-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 155103795) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[5-[[3-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID155103795
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC NameN-[5-[[3-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC(CNc3cc(C)nc(C)n3)C2)s1
InChIInChI=1S/C16H22N6OS/c1-10-4-15(20-11(2)19-10)17-5-13-7-22(8-13)9-14-6-18-16(24-14)21-12(3)23/h4,6,13H,5,7-9H2,1-3H3,(H,17,19,20)(H,18,21,23)
InChIKeyZFINDTXVEMIKNR-UHFFFAOYSA-N
XLogP2.05
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 155103795) is N-[5-[[3-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CC(CNc3cc(C)nc(C)n3)C2)s1.
What is the InChIKey of N-[5-[[3-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZFINDTXVEMIKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-10-4-15(20-11(2)19-10)17-5-13-7-22(8-13)9-14-6-18-16(24-14)21-12(3)23/h4,6,13H,5,7-9H2,1-3H3,(H,17,19,20)(H,18,21,23).
What are the key properties of N-[5-[[3-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 346.46 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 155103795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).