2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide

C16H25N7O2S — CID 29086777

IUPAC2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1nc(CNC(=O)Cn2nnnc2CN2C[C@@H](C)O[C@@H](C)C2)sc1C
InChIInChI=1S/C16H25N7O2S/c1-10-6-22(7-11(2)25-10)8-14-19-20-21-23(14)9-15(24)17-5-16-18-12(3)13(4)26-16/h10-11H,5-9H2,1-4H3,(H,17,24)/t10-,11+
InChIKeyUEIPPUYFLJWXIL-PHIMTYICSA-N
MW379.49 g/mol
LogP0.67
Rot. Bonds6

About 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide

2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 29086777) has the molecular formula C16H25N7O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID29086777
Molecular FormulaC16H25N7O2S
Molecular Weight379.49 g/mol
Exact Mass379.18
IUPAC Name2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1nc(CNC(=O)Cn2nnnc2CN2C[C@@H](C)O[C@@H](C)C2)sc1C
InChIInChI=1S/C16H25N7O2S/c1-10-6-22(7-11(2)25-10)8-14-19-20-21-23(14)9-15(24)17-5-16-18-12(3)13(4)26-16/h10-11H,5-9H2,1-4H3,(H,17,24)/t10-,11+
InChIKeyUEIPPUYFLJWXIL-PHIMTYICSA-N
XLogP0.67
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide (CID 29086777) is 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide is Cc1nc(CNC(=O)Cn2nnnc2CN2C[C@@H](C)O[C@@H](C)C2)sc1C.
What is the InChIKey of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is UEIPPUYFLJWXIL-PHIMTYICSA-N. The full InChI is InChI=1S/C16H25N7O2S/c1-10-6-22(7-11(2)25-10)8-14-19-20-21-23(14)9-15(24)17-5-16-18-12(3)13(4)26-16/h10-11H,5-9H2,1-4H3,(H,17,24)/t10-,11+.
What are the key properties of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide?
2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 379.49 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 29086777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).