2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide

C9H16N4O2S — CID 43665038

IUPAC2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide
SMILESCOc1nc(N(C)C)sc1CNCC(N)=O
InChIInChI=1S/C9H16N4O2S/c1-13(2)9-12-8(15-3)6(16-9)4-11-5-7(10)14/h11H,4-5H2,1-3H3,(H2,10,14)
InChIKeyUAEXTZYEVDDNKJ-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.21
Rot. Bonds6

About 2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide

2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide (PubChem CID 43665038) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide
PubChem CID43665038
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide
SMILESCOc1nc(N(C)C)sc1CNCC(N)=O
InChIInChI=1S/C9H16N4O2S/c1-13(2)9-12-8(15-3)6(16-9)4-11-5-7(10)14/h11H,4-5H2,1-3H3,(H2,10,14)
InChIKeyUAEXTZYEVDDNKJ-UHFFFAOYSA-N
XLogP-0.21
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N-propylacetamide
CID 43665262
3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,N-diethylpropanamide
CID 60925601
3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,2,2-trimethylpropanamide
CID 106275758
5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43665239
5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 64569644
4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 79352826
4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazol-2-amine
CID 79358881
5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 82710285
tert-butyl N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-N-ethylcarbamate
CID 113230829
1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43665203
4-methoxy-N,N-dimethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 43665108
5-[[(2-fluorophenyl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43433376

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide?
The IUPAC name of 2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide (CID 43665038) is 2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide.
What is the SMILES notation for 2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide?
The canonical SMILES for 2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide is COc1nc(N(C)C)sc1CNCC(N)=O.
What is the InChIKey of 2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide?
The InChIKey is UAEXTZYEVDDNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-13(2)9-12-8(15-3)6(16-9)4-11-5-7(10)14/h11H,4-5H2,1-3H3,(H2,10,14).
What are the key properties of 2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide?
2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide has a molecular weight of 244.32 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide is sourced from PubChem (CID 43665038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).