N-benzyl-2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]acetamide

C19H21N3O2S — CID 91056826

IUPACN-benzyl-2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]acetamide
SMILESO=C(Cc1sc(NC2CC3C=CC2C3)nc1O)NCc1ccccc1
InChIInChI=1S/C19H21N3O2S/c23-17(20-11-12-4-2-1-3-5-12)10-16-18(24)22-19(25-16)21-15-9-13-6-7-14(15)8-13/h1-7,13-15,24H,8-11H2,(H,20,23)(H,21,22)
InChIKeyIZNGPTWXRIUCCO-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.08
Rot. Bonds6

About N-benzyl-2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]acetamide

N-benzyl-2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]acetamide (PubChem CID 91056826) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-benzyl-2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]acetamide
PubChem CID91056826
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-benzyl-2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]acetamide
SMILESO=C(Cc1sc(NC2CC3C=CC2C3)nc1O)NCc1ccccc1
InChIInChI=1S/C19H21N3O2S/c23-17(20-11-12-4-2-1-3-5-12)10-16-18(24)22-19(25-16)21-15-9-13-6-7-14(15)8-13/h1-7,13-15,24H,8-11H2,(H,20,23)(H,21,22)
InChIKeyIZNGPTWXRIUCCO-UHFFFAOYSA-N
XLogP3.08
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetamide
CID 60972445
N-benzyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 2461104
2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-benzylacetamide
CID 9232942
2-(1-adamantyl)-N-benzylacetamide
CID 3560004
N-benzyl-2-(1H-indol-6-yl)acetamide
CID 54366810
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
2-[2-[2-(benzylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82155047
(1R,2R,4S)-N-benzylbicyclo[2.2.1]hept-5-ene-2-sulfonamide
CID 90661783
N-benzyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328924
N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229017
N-benzyl-2-[[5-[(2-methylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4878495
[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-phenylacetate
CID 98571872

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]acetamide (CID 91056826) is N-benzyl-2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]acetamide is O=C(Cc1sc(NC2CC3C=CC2C3)nc1O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]acetamide?
The InChIKey is IZNGPTWXRIUCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-17(20-11-12-4-2-1-3-5-12)10-16-18(24)22-19(25-16)21-15-9-13-6-7-14(15)8-13/h1-7,13-15,24H,8-11H2,(H,20,23)(H,21,22).
What are the key properties of N-benzyl-2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]acetamide?
N-benzyl-2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]acetamide has a molecular weight of 355.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(2-bicyclo[2.2.1]hept-5-enylamino)-4-hydroxy-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 91056826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).