1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

C16H21N3O3S — CID 94047872

IUPAC1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCOc1ccc([C@H](C)NC(=O)NCc2csc(C)n2)c(OC)c1
InChIInChI=1S/C16H21N3O3S/c1-10(14-6-5-13(21-3)7-15(14)22-4)18-16(20)17-8-12-9-23-11(2)19-12/h5-7,9-10H,8H2,1-4H3,(H2,17,18,20)/t10-/m0/s1
InChIKeyHGWYPQYHMSYXDT-JTQLQIEISA-N
MW335.43 g/mol
LogP3.03
Rot. Bonds6

About 1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 94047872) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID94047872
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCOc1ccc([C@H](C)NC(=O)NCc2csc(C)n2)c(OC)c1
InChIInChI=1S/C16H21N3O3S/c1-10(14-6-5-13(21-3)7-15(14)22-4)18-16(20)17-8-12-9-23-11(2)19-12/h5-7,9-10H,8H2,1-4H3,(H2,17,18,20)/t10-/m0/s1
InChIKeyHGWYPQYHMSYXDT-JTQLQIEISA-N
XLogP3.03
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea with MolForge

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Related Compounds

1-[(1S)-1-(2-methoxyphenyl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94047902
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 55929778
1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
CID 47216355
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 4163313
1-(2,4-dimethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62799846
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 134053765
1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
CID 96516422
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 134053548
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 134053660
2-(4-methoxyphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 23612988
(1R)-1-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781229
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 51073344

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (CID 94047872) is 1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is COc1ccc([C@H](C)NC(=O)NCc2csc(C)n2)c(OC)c1.
What is the InChIKey of 1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is HGWYPQYHMSYXDT-JTQLQIEISA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-10(14-6-5-13(21-3)7-15(14)22-4)18-16(20)17-8-12-9-23-11(2)19-12/h5-7,9-10H,8H2,1-4H3,(H2,17,18,20)/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 335.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 94047872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).