(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(1,3-thiazol-2-yl)acetamide

C16H17N3OS — CID 6521850

IUPAC(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(1,3-thiazol-2-yl)acetamide
SMILESCC1(C)Cc2ccccc2/C(=C/C(=O)Nc2nccs2)N1
InChIInChI=1S/C16H17N3OS/c1-16(2)10-11-5-3-4-6-12(11)13(19-16)9-14(20)18-15-17-7-8-21-15/h3-9,19H,10H2,1-2H3,(H,17,18,20)/b13-9-
InChIKeyCWLVCQYJIDULRL-LCYFTJDESA-N
MW299.40 g/mol
LogP3.05
Rot. Bonds2

About (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(1,3-thiazol-2-yl)acetamide

(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 6521850) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID6521850
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(1,3-thiazol-2-yl)acetamide
SMILESCC1(C)Cc2ccccc2/C(=C/C(=O)Nc2nccs2)N1
InChIInChI=1S/C16H17N3OS/c1-16(2)10-11-5-3-4-6-12(11)13(19-16)9-14(20)18-15-17-7-8-21-15/h3-9,19H,10H2,1-2H3,(H,17,18,20)/b13-9-
InChIKeyCWLVCQYJIDULRL-LCYFTJDESA-N
XLogP3.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-Benzyl-piperazin-1-yl)-N-thiazol-2-yl-propionamide
CID 652557
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 2559025
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 162353381
2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-(4-propan-2-ylphenyl)acetamide
CID 163368440
3-phenyl-N-1,3-thiazol-2-yl-2-butenamide
CID 2191773
2-phenyl-2-piperidino-N-(1,3-thiazol-2-yl)acetamide
CID 3767568
N-[(2-methylphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2111399
2-[4-(2-methylphenyl)-1-piperazinyl]-N-1,3-thiazol-2-ylacetamide
CID 2987387
2-[4-(2,3-Dimethyl-phenyl)-piperazin-1-yl]-N-thiazol-2-yl-acetamide
CID 3152694
2-ethylsulfonyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 3336070
2-((3-benzyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 4351656
N-[[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]acetamide
CID 9800260

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(1,3-thiazol-2-yl)acetamide (CID 6521850) is (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(1,3-thiazol-2-yl)acetamide is CC1(C)Cc2ccccc2/C(=C/C(=O)Nc2nccs2)N1.
What is the InChIKey of (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is CWLVCQYJIDULRL-LCYFTJDESA-N. The full InChI is InChI=1S/C16H17N3OS/c1-16(2)10-11-5-3-4-6-12(11)13(19-16)9-14(20)18-15-17-7-8-21-15/h3-9,19H,10H2,1-2H3,(H,17,18,20)/b13-9-.
What are the key properties of (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(1,3-thiazol-2-yl)acetamide?
(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 299.40 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 6521850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).