1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[[2-(2-methoxyethylamino)phenyl]methyl]urea

C17H24N4O2S — CID 71968908

IUPAC1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[[2-(2-methoxyethylamino)phenyl]methyl]urea
SMILESCOCCNc1ccccc1CNC(=O)NCc1nc(C)c(C)s1
InChIInChI=1S/C17H24N4O2S/c1-12-13(2)24-16(21-12)11-20-17(22)19-10-14-6-4-5-7-15(14)18-8-9-23-3/h4-7,18H,8-11H2,1-3H3,(H2,19,20,22)
InChIKeyZIFHFPZUKPAQAT-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.82
Rot. Bonds8

About 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[[2-(2-methoxyethylamino)phenyl]methyl]urea

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[[2-(2-methoxyethylamino)phenyl]methyl]urea (PubChem CID 71968908) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[[2-(2-methoxyethylamino)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[[2-(2-methoxyethylamino)phenyl]methyl]urea
PubChem CID71968908
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[[2-(2-methoxyethylamino)phenyl]methyl]urea
SMILESCOCCNc1ccccc1CNC(=O)NCc1nc(C)c(C)s1
InChIInChI=1S/C17H24N4O2S/c1-12-13(2)24-16(21-12)11-20-17(22)19-10-14-6-4-5-7-15(14)18-8-9-23-3/h4-7,18H,8-11H2,1-3H3,(H2,19,20,22)
InChIKeyZIFHFPZUKPAQAT-UHFFFAOYSA-N
XLogP2.82
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
CID 84239281
N-[2-(4-Phenyl-1,3-thiazol-2-YL)ethyl]morpholine-4-carboxamide
CID 121503254
[(2R)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoylamino]-3-phenylpropan-2-yl]-dimethylazanium
CID 141643467
1-Benzyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 32524444
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboxamide
CID 34676821
N-[3-[[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]methyl]phenyl]acetamide
CID 47858552
N-[3-[1-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]ethyl]phenyl]acetamide
CID 47858635
N-[4-(acetylamino)benzyl]-2-{[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]amino}acetamide
CID 50968961
N-(4-methylphenyl)-4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 53149536
1-[2-[4-(Dimethylamino)phenyl]ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 53557060
1-[1-(4-Morpholin-4-ylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 53581344
N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]morpholine-4-carboxamide
CID 53605865

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[[2-(2-methoxyethylamino)phenyl]methyl]urea?
The IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[[2-(2-methoxyethylamino)phenyl]methyl]urea (CID 71968908) is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[[2-(2-methoxyethylamino)phenyl]methyl]urea.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[[2-(2-methoxyethylamino)phenyl]methyl]urea?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[[2-(2-methoxyethylamino)phenyl]methyl]urea is COCCNc1ccccc1CNC(=O)NCc1nc(C)c(C)s1.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[[2-(2-methoxyethylamino)phenyl]methyl]urea?
The InChIKey is ZIFHFPZUKPAQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12-13(2)24-16(21-12)11-20-17(22)19-10-14-6-4-5-7-15(14)18-8-9-23-3/h4-7,18H,8-11H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[[2-(2-methoxyethylamino)phenyl]methyl]urea?
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[[2-(2-methoxyethylamino)phenyl]methyl]urea has a molecular weight of 348.47 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[[2-(2-methoxyethylamino)phenyl]methyl]urea is sourced from PubChem (CID 71968908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).