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

C18H16N2O2S — CID 127047334

IUPACphenyl N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]carbamate
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)Oc1ccccc1
InChIInChI=1S/C18H16N2O2S/c21-18(22-15-9-5-2-6-10-15)19-12-11-17-20-16(13-23-17)14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,19,21)
InChIKeyRHATUQZUTKZIFY-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.14
Rot. Bonds5

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

phenyl N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]carbamate (PubChem CID 127047334) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is phenyl N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]carbamate
PubChem CID127047334
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Namephenyl N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]carbamate
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)Oc1ccccc1
InChIInChI=1S/C18H16N2O2S/c21-18(22-15-9-5-2-6-10-15)19-12-11-17-20-16(13-23-17)14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,19,21)
InChIKeyRHATUQZUTKZIFY-UHFFFAOYSA-N
XLogP4.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Phenyl 4-[4-(4,5-dihydro-5-phenyl-3-isoxazolyl)-2-thiazolyl]-1-piperidinecarboxylate
CID 53251433
N-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2098654
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide
CID 10364476
(S)-benzyl 1-(2-(4-(2-(dimethylamino)ethoxy)phenyl)thiazol-4-yl)-5-(sulfamoylamino)pentylcarbamate
CID 25217513
(S)-benzyl 1-(2-phenylthiazol-4-yl)-5-(sulfamoylamino)pentylcarbamate
CID 44572560
(S)-benzyl 1-(2-(4-methoxyphenyl)thiazol-4-yl)-5-(sulfamoylamino)pentylcarbamate
CID 44572561
4-[2-[4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]thiazol-4-yl]benzonitrile
CID 71292660
4-[2-[4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]thiazol-4-yl]benzonitrile
CID 71505357
Carbamic acid, (4-phenyl-2-thiazolyl)-, phenyl ester
CID 671741
N-[4-(4-ethylphenyl)-2-thiazolyl]carbamic acid phenyl ester
CID 735087
N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472618
2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3428654

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]carbamate?
The IUPAC name of phenyl N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]carbamate (CID 127047334) is phenyl N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]carbamate?
The canonical SMILES for phenyl N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]carbamate is O=C(NCCc1nc(-c2ccccc2)cs1)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]carbamate?
The InChIKey is RHATUQZUTKZIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c21-18(22-15-9-5-2-6-10-15)19-12-11-17-20-16(13-23-17)14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,19,21).
What are the key properties of phenyl N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]carbamate?
phenyl N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]carbamate has a molecular weight of 324.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 127047334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).