4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine

C19H20N2O2S — CID 7529068

IUPAC4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N[C@H](C)c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C19H20N2O2S/c1-13(14-7-5-4-6-8-14)20-19-21-17(12-24-19)16-10-9-15(22-2)11-18(16)23-3/h4-13H,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyMXXPURMNUYCQEP-CYBMUJFWSA-N
MW340.45 g/mol
LogP5.00
Rot. Bonds6

About 4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine

4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine (PubChem CID 7529068) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine
PubChem CID7529068
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N[C@H](C)c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C19H20N2O2S/c1-13(14-7-5-4-6-8-14)20-19-21-17(12-24-19)16-10-9-15(22-2)11-18(16)23-3/h4-13H,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyMXXPURMNUYCQEP-CYBMUJFWSA-N
XLogP5.00
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine
CID 2536248
4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 25342683
4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962184
4-(2,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-1,3-thiazol-2-amine
CID 7954962
N-[(1R)-1-phenylethyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2464196
4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine
CID 4969311
2,4-dimethoxy-N-(1-phenylethyl)aniline
CID 11586940
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenoxybenzamide
CID 2334070
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine
CID 7513120
4-(2,4-dimethoxyphenyl)-N-(2,4,5-trichlorophenyl)-1,3-thiazol-2-amine
CID 58910662
4-(2,5-dimethoxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
CID 8750392
1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120580478

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine (CID 7529068) is 4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine is COc1ccc(-c2csc(N[C@H](C)c3ccccc3)n2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine?
The InChIKey is MXXPURMNUYCQEP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-13(14-7-5-4-6-8-14)20-19-21-17(12-24-19)16-10-9-15(22-2)11-18(16)23-3/h4-13H,1-3H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine?
4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine has a molecular weight of 340.45 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 7529068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).