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

C14H16FN3OS — CID 47194248

IUPAC1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCCN(Cc1cccc(F)c1)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C14H16FN3OS/c1-3-18(8-11-5-4-6-12(15)7-11)14(19)17-13-16-10(2)9-20-13/h4-7,9H,3,8H2,1-2H3,(H,16,17,19)
InChIKeySUIQNIWOGSAJFU-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.64
Rot. Bonds4

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

1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 47194248) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID47194248
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCCN(Cc1cccc(F)c1)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C14H16FN3OS/c1-3-18(8-11-5-4-6-12(15)7-11)14(19)17-13-16-10(2)9-20-13/h4-7,9H,3,8H2,1-2H3,(H,16,17,19)
InChIKeySUIQNIWOGSAJFU-UHFFFAOYSA-N
XLogP3.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 47194248) is 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is CCN(Cc1cccc(F)c1)C(=O)Nc1nc(C)cs1.
What is the InChIKey of 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is SUIQNIWOGSAJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-3-18(8-11-5-4-6-12(15)7-11)14(19)17-13-16-10(2)9-20-13/h4-7,9H,3,8H2,1-2H3,(H,16,17,19).
What are the key properties of 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 293.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 47194248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).