2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide

C16H19N3O2S — CID 154669651

IUPAC2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESNCC(=O)Nc1nc(-c2cccc(C3CCOCC3)c2)cs1
InChIInChI=1S/C16H19N3O2S/c17-9-15(20)19-16-18-14(10-22-16)13-3-1-2-12(8-13)11-4-6-21-7-5-11/h1-3,8,10-11H,4-7,9,17H2,(H,18,19,20)
InChIKeyPVFMVFKMKVZEQI-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.60
Rot. Bonds4

About 2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide

2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 154669651) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID154669651
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESNCC(=O)Nc1nc(-c2cccc(C3CCOCC3)c2)cs1
InChIInChI=1S/C16H19N3O2S/c17-9-15(20)19-16-18-14(10-22-16)13-3-1-2-12(8-13)11-4-6-21-7-5-11/h1-3,8,10-11H,4-7,9,17H2,(H,18,19,20)
InChIKeyPVFMVFKMKVZEQI-UHFFFAOYSA-N
XLogP2.60
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[4-[3-(oxolan-3-ylmethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 154668811
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2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 155037559
[2-oxo-2-[[4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl] carbamate
CID 175189919
2-amino-N-[4-[3-[3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 155026656
2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 164888892
N-[2-[[4-[3-(4-hydroxycyclohexyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfanylpyrrole-3-carboxamide
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2-amino-N-[4-[6-(2,6-dimethyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 154667723
2-amino-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783341
N-[2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
CID 39177703
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide
CID 51937676
N-[4-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide (CID 154669651) is 2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide is NCC(=O)Nc1nc(-c2cccc(C3CCOCC3)c2)cs1.
What is the InChIKey of 2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is PVFMVFKMKVZEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c17-9-15(20)19-16-18-14(10-22-16)13-3-1-2-12(8-13)11-4-6-21-7-5-11/h1-3,8,10-11H,4-7,9,17H2,(H,18,19,20).
What are the key properties of 2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide?
2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 154669651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).