2-amino-N-[4-[6-(2,6-dimethyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide

C17H22N4O2S — CID 154667723

IUPAC2-amino-N-[4-[6-(2,6-dimethyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide
SMILESCC1CC(c2cccc(-c3csc(NC(=O)CN)n3)n2)CC(C)O1
InChIInChI=1S/C17H22N4O2S/c1-10-6-12(7-11(2)23-10)13-4-3-5-14(19-13)15-9-24-17(20-15)21-16(22)8-18/h3-5,9-12H,6-8,18H2,1-2H3,(H,20,21,22)
InChIKeyQTLUEWZGEHALBT-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.77
Rot. Bonds4

About 2-amino-N-[4-[6-(2,6-dimethyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide

2-amino-N-[4-[6-(2,6-dimethyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 154667723) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-amino-N-[4-[6-(2,6-dimethyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[6-(2,6-dimethyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide
PubChem CID154667723
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-amino-N-[4-[6-(2,6-dimethyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide
SMILESCC1CC(c2cccc(-c3csc(NC(=O)CN)n3)n2)CC(C)O1
InChIInChI=1S/C17H22N4O2S/c1-10-6-12(7-11(2)23-10)13-4-3-5-14(19-13)15-9-24-17(20-15)21-16(22)8-18/h3-5,9-12H,6-8,18H2,1-2H3,(H,20,21,22)
InChIKeyQTLUEWZGEHALBT-UHFFFAOYSA-N
XLogP2.77
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 155037559
[2-[[4-[6-[(2S,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate
CID 175183691
2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 154669651
2-amino-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]acetamide;2-butan-2-yloxy-4-methylpentane
CID 154666882
2-amino-N-[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-5-fluoro-1,3-thiazol-2-yl]acetamide
CID 154669842
N-[2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
CID 39177703
2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 6465578
[2-[[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate
CID 175186749
2-amino-N-[4-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 39177422
2-amino-N-[4-[3-(oxolan-3-ylmethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 154668811
2-amino-N-[4-[3-(4-sulfanylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 154668523
2-amino-N-[4-[3-[3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 155026656

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[6-(2,6-dimethyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-amino-N-[4-[6-(2,6-dimethyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide (CID 154667723) is 2-amino-N-[4-[6-(2,6-dimethyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[6-(2,6-dimethyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[4-[6-(2,6-dimethyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide is CC1CC(c2cccc(-c3csc(NC(=O)CN)n3)n2)CC(C)O1.
What is the InChIKey of 2-amino-N-[4-[6-(2,6-dimethyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is QTLUEWZGEHALBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-10-6-12(7-11(2)23-10)13-4-3-5-14(19-13)15-9-24-17(20-15)21-16(22)8-18/h3-5,9-12H,6-8,18H2,1-2H3,(H,20,21,22).
What are the key properties of 2-amino-N-[4-[6-(2,6-dimethyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide?
2-amino-N-[4-[6-(2,6-dimethyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 346.46 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[6-(2,6-dimethyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 154667723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).