(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

C16H13N3O3S2 — CID 7221097

IUPAC(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1cccc(Cc2cnc(NC(=O)/C=C3\SC(=O)NC3=O)s2)c1
InChIInChI=1S/C16H13N3O3S2/c1-9-3-2-4-10(5-9)6-11-8-17-15(23-11)18-13(20)7-12-14(21)19-16(22)24-12/h2-5,7-8H,6H2,1H3,(H,17,18,20)(H,19,21,22)/b12-7-
InChIKeyQAZSXRIDOXYPMS-GHXNOFRVSA-N
MW359.43 g/mol
LogP2.85
Rot. Bonds4

About (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 7221097) has the molecular formula C16H13N3O3S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID7221097
Molecular FormulaC16H13N3O3S2
Molecular Weight359.43 g/mol
Exact Mass359.04
IUPAC Name(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1cccc(Cc2cnc(NC(=O)/C=C3\SC(=O)NC3=O)s2)c1
InChIInChI=1S/C16H13N3O3S2/c1-9-3-2-4-10(5-9)6-11-8-17-15(23-11)18-13(20)7-12-14(21)19-16(22)24-12/h2-5,7-8H,6H2,1H3,(H,17,18,20)(H,19,21,22)/b12-7-
InChIKeyQAZSXRIDOXYPMS-GHXNOFRVSA-N
XLogP2.85
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 7221094
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 17404860
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4212019
3-(2-chlorophenyl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 2873182
1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 167862447
(E)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 7535975
(3R)-7-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 7172824
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4911481
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3144222
5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 17423794
4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 2130333
2-acetamido-3-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 45479114

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 7221097) is (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is Cc1cccc(Cc2cnc(NC(=O)/C=C3\SC(=O)NC3=O)s2)c1.
What is the InChIKey of (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is QAZSXRIDOXYPMS-GHXNOFRVSA-N. The full InChI is InChI=1S/C16H13N3O3S2/c1-9-3-2-4-10(5-9)6-11-8-17-15(23-11)18-13(20)7-12-14(21)19-16(22)24-12/h2-5,7-8H,6H2,1H3,(H,17,18,20)(H,19,21,22)/b12-7-.
What are the key properties of (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 359.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 7221097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).