phenyl N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate

C20H18N2O2S — CID 19227173

IUPACphenyl N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)Oc1ccccc1
InChIInChI=1S/C20H18N2O2S/c23-20(24-17-8-2-1-3-9-17)22-19-21-18(13-25-19)16-11-10-14-6-4-5-7-15(14)12-16/h1-3,8-13H,4-7H2,(H,21,22,23)
InChIKeyCHLBBYRCTPDQDX-UHFFFAOYSA-N
MW350.44 g/mol
LogP5.30
Rot. Bonds3

About phenyl N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate

phenyl N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate (PubChem CID 19227173) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is phenyl N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate
PubChem CID19227173
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Namephenyl N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)Oc1ccccc1
InChIInChI=1S/C20H18N2O2S/c23-20(24-17-8-2-1-3-9-17)22-19-21-18(13-25-19)16-11-10-14-6-4-5-7-15(14)12-16/h1-3,8-13H,4-7H2,(H,21,22,23)
InChIKeyCHLBBYRCTPDQDX-UHFFFAOYSA-N
XLogP5.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate
CID 87406304
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 4142849
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4677452
2-fluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 4089252
2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 119264633
2,6-dimethoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 5074710
N-[1-oxo-1-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]propan-2-yl]benzamide
CID 4555376
2-naphthalen-1-yl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 4550540
5-bromo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1407284
(2S)-2-acetamido-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 95306112
2-(4-propylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 19227652
2-(4-tert-butylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 19227816

Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of phenyl N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate (CID 19227173) is phenyl N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for phenyl N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for phenyl N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate is O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)Oc1ccccc1.
What is the InChIKey of phenyl N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is CHLBBYRCTPDQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c23-20(24-17-8-2-1-3-9-17)22-19-21-18(13-25-19)16-11-10-14-6-4-5-7-15(14)12-16/h1-3,8-13H,4-7H2,(H,21,22,23).
What are the key properties of phenyl N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate?
phenyl N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 350.44 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 19227173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).