N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide

C12H15N3OS — CID 9028987

IUPACN-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCC1=C/C(=N/NC(=O)Cc2nc(C)cs2)CC1
InChIInChI=1S/C12H15N3OS/c1-8-3-4-10(5-8)14-15-11(16)6-12-13-9(2)7-17-12/h5,7H,3-4,6H2,1-2H3,(H,15,16)/b14-10+
InChIKeyLPMUGIHIAOIZCI-GXDHUFHOSA-N
MW249.34 g/mol
LogP2.21
Rot. Bonds3

About N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide

N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 9028987) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID9028987
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCC1=C/C(=N/NC(=O)Cc2nc(C)cs2)CC1
InChIInChI=1S/C12H15N3OS/c1-8-3-4-10(5-8)14-15-11(16)6-12-13-9(2)7-17-12/h5,7H,3-4,6H2,1-2H3,(H,15,16)/b14-10+
InChIKeyLPMUGIHIAOIZCI-GXDHUFHOSA-N
XLogP2.21
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclooctylideneamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029046
N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029908
2-(4-methyl-1,3-thiazol-2-yl)-N-[[(2R)-2-phenylcyclohexylidene]amino]acetamide
CID 9030369
2-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-2-ylacetamide
CID 110484384
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9028724
CID 131842856
CID 131842856
N-(2,6-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484535
N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484403
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029129
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029099
[2-methoxy-4-[(Z)-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 9029686
N-(2,2-dimethoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484412

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 9028987) is N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide is CC1=C/C(=N/NC(=O)Cc2nc(C)cs2)CC1.
What is the InChIKey of N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is LPMUGIHIAOIZCI-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-3-4-10(5-8)14-15-11(16)6-12-13-9(2)7-17-12/h5,7H,3-4,6H2,1-2H3,(H,15,16)/b14-10+.
What are the key properties of N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 249.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 9028987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).