1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea

C17H23N3O2S — CID 110317498

IUPAC1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea
SMILESCCN(CC)C(=O)NCCc1csc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C17H23N3O2S/c1-4-20(5-2)17(21)18-11-10-14-12-23-16(19-14)13-6-8-15(22-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKeyKQGDTVWQPRIJRU-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.41
Rot. Bonds7

About 1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea

1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea (PubChem CID 110317498) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea
PubChem CID110317498
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea
SMILESCCN(CC)C(=O)NCCc1csc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C17H23N3O2S/c1-4-20(5-2)17(21)18-11-10-14-12-23-16(19-14)13-6-8-15(22-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKeyKQGDTVWQPRIJRU-UHFFFAOYSA-N
XLogP3.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
CID 35345566
ethyl N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]carbamate
CID 110317496
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide
CID 35344893
N-[3-[4-[2-(diethylcarbamoylamino)ethyl]-1,3-thiazol-2-yl]phenyl]acetamide
CID 110351971
1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317361
2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119214
N-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333309
(2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35574095
3-chloro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119199
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-(1-methyl-6-oxopyridazin-3-yl)propanamide
CID 72719801
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethoxybenzamide
CID 7518434
(E)-3-(4-methoxyphenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]but-2-enamide
CID 110305222

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea?
The IUPAC name of 1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea (CID 110317498) is 1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea?
The canonical SMILES for 1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea is CCN(CC)C(=O)NCCc1csc(-c2ccc(OC)cc2)n1.
What is the InChIKey of 1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea?
The InChIKey is KQGDTVWQPRIJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-4-20(5-2)17(21)18-11-10-14-12-23-16(19-14)13-6-8-15(22-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21).
What are the key properties of 1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea?
1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea has a molecular weight of 333.46 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea is sourced from PubChem (CID 110317498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).