phenyl N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamate

C18H16N2O2S — CID 735087

IUPACphenyl N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamate
SMILESCCc1ccc(-c2csc(NC(=O)Oc3ccccc3)n2)cc1
InChIInChI=1S/C18H16N2O2S/c1-2-13-8-10-14(11-9-13)16-12-23-17(19-16)20-18(21)22-15-6-4-3-5-7-15/h3-12H,2H2,1H3,(H,19,20,21)
InChIKeyQRANLPFERFBRNN-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.98
Rot. Bonds4

About phenyl N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamate

phenyl N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 735087) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is phenyl N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamate
PubChem CID735087
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Namephenyl N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamate
SMILESCCc1ccc(-c2csc(NC(=O)Oc3ccccc3)n2)cc1
InChIInChI=1S/C18H16N2O2S/c1-2-13-8-10-14(11-9-13)16-12-23-17(19-16)20-18(21)22-15-6-4-3-5-7-15/h3-12H,2H2,1H3,(H,19,20,21)
InChIKeyQRANLPFERFBRNN-UHFFFAOYSA-N
XLogP4.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of phenyl N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamate (CID 735087) is phenyl N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for phenyl N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for phenyl N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamate is CCc1ccc(-c2csc(NC(=O)Oc3ccccc3)n2)cc1.
What is the InChIKey of phenyl N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is QRANLPFERFBRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-2-13-8-10-14(11-9-13)16-12-23-17(19-16)20-18(21)22-15-6-4-3-5-7-15/h3-12H,2H2,1H3,(H,19,20,21).
What are the key properties of phenyl N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamate?
phenyl N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 324.41 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 735087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).