1-[(4-methoxy-3-methylphenyl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea

C17H23N3O2S — CID 75377192

IUPAC1-[(4-methoxy-3-methylphenyl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
SMILESCOc1ccc(CNC(=O)NC(C)(C)c2ncc(C)s2)cc1C
InChIInChI=1S/C17H23N3O2S/c1-11-8-13(6-7-14(11)22-5)10-19-16(21)20-17(3,4)15-18-9-12(2)23-15/h6-9H,10H2,1-5H3,(H2,19,20,21)
InChIKeyYHCIIBPEIHEQRA-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.50
Rot. Bonds5

About 1-[(4-methoxy-3-methylphenyl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea

1-[(4-methoxy-3-methylphenyl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea (PubChem CID 75377192) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[(4-methoxy-3-methylphenyl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[(4-methoxy-3-methylphenyl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
PubChem CID75377192
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-[(4-methoxy-3-methylphenyl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
SMILESCOc1ccc(CNC(=O)NC(C)(C)c2ncc(C)s2)cc1C
InChIInChI=1S/C17H23N3O2S/c1-11-8-13(6-7-14(11)22-5)10-19-16(21)20-17(3,4)15-18-9-12(2)23-15/h6-9H,10H2,1-5H3,(H2,19,20,21)
InChIKeyYHCIIBPEIHEQRA-UHFFFAOYSA-N
XLogP3.50
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid
CID 122018657
N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 115165703
3-[(4-methoxy-3-methylphenyl)methylamino]-2,2,3-trimethylbutanoic acid
CID 167848707
6-[[(4-methoxy-3-methylphenyl)methylamino]methyl]pyridine-3-carboxylic acid
CID 166258581
2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide
CID 110779766
1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 111455101
2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 110779755
N-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide
CID 110775274
1-(3-hydroxy-4-methylpentyl)-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 111505713
1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 99792914
methyl 2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetate
CID 75504790
1-[(3,4-dimethoxyphenyl)methyl]-3-[(2R)-1-hydroxy-2-methylbutan-2-yl]urea
CID 95772333

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3-methylphenyl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea?
The IUPAC name of 1-[(4-methoxy-3-methylphenyl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea (CID 75377192) is 1-[(4-methoxy-3-methylphenyl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[(4-methoxy-3-methylphenyl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea?
The canonical SMILES for 1-[(4-methoxy-3-methylphenyl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea is COc1ccc(CNC(=O)NC(C)(C)c2ncc(C)s2)cc1C.
What is the InChIKey of 1-[(4-methoxy-3-methylphenyl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea?
The InChIKey is YHCIIBPEIHEQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-11-8-13(6-7-14(11)22-5)10-19-16(21)20-17(3,4)15-18-9-12(2)23-15/h6-9H,10H2,1-5H3,(H2,19,20,21).
What are the key properties of 1-[(4-methoxy-3-methylphenyl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea?
1-[(4-methoxy-3-methylphenyl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea has a molecular weight of 333.46 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3-methylphenyl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea is sourced from PubChem (CID 75377192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).