N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C13H15N3OS — CID 9463997

IUPACN-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N/N=C2/C[C@H]3C=CC[C@@H]23)cs1
InChIInChI=1S/C13H15N3OS/c1-8-14-10(7-18-8)6-13(17)16-15-12-5-9-3-2-4-11(9)12/h2-3,7,9,11H,4-6H2,1H3,(H,16,17)/b15-12-/t9-,11-/m1/s1
InChIKeyRYXSSECFMJOFOX-IPPACRRKSA-N
MW261.35 g/mol
LogP2.06
Rot. Bonds3

About N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 9463997) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID9463997
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N/N=C2/C[C@H]3C=CC[C@@H]23)cs1
InChIInChI=1S/C13H15N3OS/c1-8-14-10(7-18-8)6-13(17)16-15-12-5-9-3-2-4-11(9)12/h2-3,7,9,11H,4-6H2,1H3,(H,16,17)/b15-12-/t9-,11-/m1/s1
InChIKeyRYXSSECFMJOFOX-IPPACRRKSA-N
XLogP2.06
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[(2R,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463859
2-(2-methyl-1,3-thiazol-4-yl)-N-[(E)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide
CID 9463824
N-[(E)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463762
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463828
N-(4-hydroxycyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 43389129
2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]acetamide
CID 3422858
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4040678
N-(2,3-dihydro-1H-inden-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70770672
N-(2-hydroxycycloheptyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 113394918
N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 40605805
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
N-[(1S,2R)-2-aminocyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 56896056

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 9463997) is N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)N/N=C2/C[C@H]3C=CC[C@@H]23)cs1.
What is the InChIKey of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is RYXSSECFMJOFOX-IPPACRRKSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8-14-10(7-18-8)6-13(17)16-15-12-5-9-3-2-4-11(9)12/h2-3,7,9,11H,4-6H2,1H3,(H,16,17)/b15-12-/t9-,11-/m1/s1.
What are the key properties of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 261.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 9463997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).