(E)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide

C16H12ClN3O2S2 — CID 49319838

IUPAC(E)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide
SMILESCOc1ccc(-c2csc(NC(=O)/C=C/c3cscn3)n2)cc1Cl
InChIInChI=1S/C16H12ClN3O2S2/c1-22-14-4-2-10(6-12(14)17)13-8-24-16(19-13)20-15(21)5-3-11-7-23-9-18-11/h2-9H,1H3,(H,19,20,21)/b5-3+
InChIKeyXQGFWRLKFOZASQ-HWKANZROSA-N
MW377.88 g/mol
LogP4.58
Rot. Bonds5

About (E)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide

(E)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 49319838) has the molecular formula C16H12ClN3O2S2 and a molecular weight of 377.88 g/mol. Its IUPAC name is (E)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide
PubChem CID49319838
Molecular FormulaC16H12ClN3O2S2
Molecular Weight377.88 g/mol
Exact Mass377.01
IUPAC Name(E)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide
SMILESCOc1ccc(-c2csc(NC(=O)/C=C/c3cscn3)n2)cc1Cl
InChIInChI=1S/C16H12ClN3O2S2/c1-22-14-4-2-10(6-12(14)17)13-8-24-16(19-13)20-15(21)5-3-11-7-23-9-18-11/h2-9H,1H3,(H,19,20,21)/b5-3+
InChIKeyXQGFWRLKFOZASQ-HWKANZROSA-N
XLogP4.58
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4682996
4-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 28550985
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 7603429
2-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696321
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16562173
methyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 32520564
(E)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 8511397
(E)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 7583048
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 16562191
(2S)-2-amino-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide;hydrochloride
CID 119272131
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 28550562

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide (CID 49319838) is (E)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide is COc1ccc(-c2csc(NC(=O)/C=C/c3cscn3)n2)cc1Cl.
What is the InChIKey of (E)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is XQGFWRLKFOZASQ-HWKANZROSA-N. The full InChI is InChI=1S/C16H12ClN3O2S2/c1-22-14-4-2-10(6-12(14)17)13-8-24-16(19-13)20-15(21)5-3-11-7-23-9-18-11/h2-9H,1H3,(H,19,20,21)/b5-3+.
What are the key properties of (E)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide?
(E)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 377.88 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 49319838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).