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

C14H18ClN3O2S — CID 43665100

IUPAC5-[(5-chloro-2-methoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1ccc(Cl)cc1NCc1sc(N(C)C)nc1OC
InChIInChI=1S/C14H18ClN3O2S/c1-18(2)14-17-13(20-4)12(21-14)8-16-10-7-9(15)5-6-11(10)19-3/h5-7,16H,8H2,1-4H3
InChIKeyYHFWFHUTDYKBBR-UHFFFAOYSA-N
MW327.84 g/mol
LogP3.49
Rot. Bonds6

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

5-[(5-chloro-2-methoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 43665100) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 5-[(5-chloro-2-methoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(5-chloro-2-methoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID43665100
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name5-[(5-chloro-2-methoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1ccc(Cl)cc1NCc1sc(N(C)C)nc1OC
InChIInChI=1S/C14H18ClN3O2S/c1-18(2)14-17-13(20-4)12(21-14)8-16-10-7-9(15)5-6-11(10)19-3/h5-7,16H,8H2,1-4H3
InChIKeyYHFWFHUTDYKBBR-UHFFFAOYSA-N
XLogP3.49
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(5-chloro-2-methoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

5-[[(2-chloro-3-pyridinyl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43690083
5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 65022123
2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide
CID 28578226
5-chloro-2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756549
5-chloro-N-(2-fluoroethyl)-2-methoxyaniline
CID 80700235
3-[(5-chloro-2-methoxyanilino)methyl]benzene-1,2-diol
CID 61319274
2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide
CID 43665038
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline
CID 83235721
5-chloro-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxyaniline
CID 86977933
5-chloro-N-(2-ethylbutyl)-2-methoxyaniline
CID 29289314
5-chloro-N-(3-fluoropropyl)-2-methoxyaniline
CID 81106313
4-[(5-chloro-2-methoxyanilino)methyl]benzoic acid
CID 39398714

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-methoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(5-chloro-2-methoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (CID 43665100) is 5-[(5-chloro-2-methoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(5-chloro-2-methoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(5-chloro-2-methoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is COc1ccc(Cl)cc1NCc1sc(N(C)C)nc1OC.
What is the InChIKey of 5-[(5-chloro-2-methoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is YHFWFHUTDYKBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-18(2)14-17-13(20-4)12(21-14)8-16-10-7-9(15)5-6-11(10)19-3/h5-7,16H,8H2,1-4H3.
What are the key properties of 5-[(5-chloro-2-methoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
5-[(5-chloro-2-methoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 327.84 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-methoxyanilino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 43665100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).