4-methoxy-N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine

C12H21N3O2S — CID 43665141

IUPAC4-methoxy-N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNCC1CCCO1
InChIInChI=1S/C12H21N3O2S/c1-15(2)12-14-11(16-3)10(18-12)8-13-7-9-5-4-6-17-9/h9,13H,4-8H2,1-3H3
InChIKeyHLDTUVPENJHTBZ-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.49
Rot. Bonds6

About 4-methoxy-N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine

4-methoxy-N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 43665141) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID43665141
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name4-methoxy-N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNCC1CCCO1
InChIInChI=1S/C12H21N3O2S/c1-15(2)12-14-11(16-3)10(18-12)8-13-7-9-5-4-6-17-9/h9,13H,4-8H2,1-3H3
InChIKeyHLDTUVPENJHTBZ-UHFFFAOYSA-N
XLogP1.49
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 79352826
N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 115587078
5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 64569644
4-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]cyclohexane-1,4-diamine
CID 62319971
5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 82710285
N-[(4-methylthiadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 65199521
5-[[(1,1-dioxothian-3-yl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 63923894
4-methoxy-N,N-dimethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 43665108
N,N-dimethyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 834270
5-[[(2-fluorophenyl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43433376
3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,N-diethylpropanamide
CID 60925601
5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 106038137

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methoxy-N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine (CID 43665141) is 4-methoxy-N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methoxy-N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine is COc1nc(N(C)C)sc1CNCC1CCCO1.
What is the InChIKey of 4-methoxy-N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is HLDTUVPENJHTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-15(2)12-14-11(16-3)10(18-12)8-13-7-9-5-4-6-17-9/h9,13H,4-8H2,1-3H3.
What are the key properties of 4-methoxy-N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine?
4-methoxy-N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 271.39 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43665141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).