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

C14H17N3O2S — CID 87065383

IUPAC1-(4-ethyl-1,3-thiazol-2-yl)-3-[(3-methoxyphenyl)methyl]urea
SMILESCCc1csc(NC(=O)NCc2cccc(OC)c2)n1
InChIInChI=1S/C14H17N3O2S/c1-3-11-9-20-14(16-11)17-13(18)15-8-10-5-4-6-12(7-10)19-2/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyISUKIKKCXNZTEK-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.04
Rot. Bonds5

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

1-(4-ethyl-1,3-thiazol-2-yl)-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 87065383) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-(4-ethyl-1,3-thiazol-2-yl)-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-ethyl-1,3-thiazol-2-yl)-3-[(3-methoxyphenyl)methyl]urea
PubChem CID87065383
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-(4-ethyl-1,3-thiazol-2-yl)-3-[(3-methoxyphenyl)methyl]urea
SMILESCCc1csc(NC(=O)NCc2cccc(OC)c2)n1
InChIInChI=1S/C14H17N3O2S/c1-3-11-9-20-14(16-11)17-13(18)15-8-10-5-4-6-12(7-10)19-2/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyISUKIKKCXNZTEK-UHFFFAOYSA-N
XLogP3.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea;hydrochloride
CID 87406316
methyl N-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16883817
N-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 18568246
2-(2-anilino-1,3-thiazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 30940483
N-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881455
(2S)-N-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 42590169
1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylmethyl)urea
CID 121081387
ethyl 2-[2-[3-(3-methoxyphenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 24620243
N-[4-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 41227905
4-[(3-methoxyphenyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 175901797
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377643
1-[4-[(2,2-difluoroethylamino)methyl]-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)methyl]urea
CID 86661301

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,3-thiazol-2-yl)-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(4-ethyl-1,3-thiazol-2-yl)-3-[(3-methoxyphenyl)methyl]urea (CID 87065383) is 1-(4-ethyl-1,3-thiazol-2-yl)-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(4-ethyl-1,3-thiazol-2-yl)-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(4-ethyl-1,3-thiazol-2-yl)-3-[(3-methoxyphenyl)methyl]urea is CCc1csc(NC(=O)NCc2cccc(OC)c2)n1.
What is the InChIKey of 1-(4-ethyl-1,3-thiazol-2-yl)-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is ISUKIKKCXNZTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-11-9-20-14(16-11)17-13(18)15-8-10-5-4-6-12(7-10)19-2/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-(4-ethyl-1,3-thiazol-2-yl)-3-[(3-methoxyphenyl)methyl]urea?
1-(4-ethyl-1,3-thiazol-2-yl)-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 291.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,3-thiazol-2-yl)-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 87065383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).