N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide

C17H19N3OS — CID 56762560

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-n2cccc2)n1)NCC1CC2C=CC1C2
InChIInChI=1S/C17H19N3OS/c21-16(18-10-14-8-12-3-4-13(14)7-12)9-15-11-22-17(19-15)20-5-1-2-6-20/h1-6,11-14H,7-10H2,(H,18,21)
InChIKeySLZSPEXMJKZIEH-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.80
Rot. Bonds5

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 56762560) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide
PubChem CID56762560
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-n2cccc2)n1)NCC1CC2C=CC1C2
InChIInChI=1S/C17H19N3OS/c21-16(18-10-14-8-12-3-4-13(14)7-12)9-15-11-22-17(19-15)20-5-1-2-6-20/h1-6,11-14H,7-10H2,(H,18,21)
InChIKeySLZSPEXMJKZIEH-UHFFFAOYSA-N
XLogP2.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 98226678
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide
CID 96564072
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 95860224
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide
CID 130645148
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide
CID 3931382
ethyl 4-[2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate
CID 71946830
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 136867023
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 99794688
N-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 99794690
2-(2-methyl-1,3-thiazol-4-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 134026067
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 106026146
N-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 126818688

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide (CID 56762560) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-n2cccc2)n1)NCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is SLZSPEXMJKZIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c21-16(18-10-14-8-12-3-4-13(14)7-12)9-15-11-22-17(19-15)20-5-1-2-6-20/h1-6,11-14H,7-10H2,(H,18,21).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 313.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 56762560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).