(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide

C16H13N3OS — CID 17455354

IUPAC(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide
SMILESCc1nnc(NC(=O)/C=C/c2cccc3ccccc23)s1
InChIInChI=1S/C16H13N3OS/c1-11-18-19-16(21-11)17-15(20)10-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-10H,1H3,(H,17,19,20)/b10-9+
InChIKeyKJDXSXSNKXWQRJ-MDZDMXLPSA-N
MW295.37 g/mol
LogP3.65
Rot. Bonds3

About (E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide

(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide (PubChem CID 17455354) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is (E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide
PubChem CID17455354
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide
SMILESCc1nnc(NC(=O)/C=C/c2cccc3ccccc23)s1
InChIInChI=1S/C16H13N3OS/c1-11-18-19-16(21-11)17-15(20)10-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-10H,1H3,(H,17,19,20)/b10-9+
InChIKeyKJDXSXSNKXWQRJ-MDZDMXLPSA-N
XLogP3.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 16604814
3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 73423411
(Z)-N-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide
CID 92898547
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 5178128
(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide
CID 3928998
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 1191389
ethyl 4,5-dimethyl-2-(3-naphthalen-1-ylprop-2-enoylamino)thiophene-3-carboxylate
CID 2906454
(E)-3-(2,3-dimethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 8017432
(Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 92949912

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide (CID 17455354) is (E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide is Cc1nnc(NC(=O)/C=C/c2cccc3ccccc23)s1.
What is the InChIKey of (E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is KJDXSXSNKXWQRJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-11-18-19-16(21-11)17-15(20)10-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-10H,1H3,(H,17,19,20)/b10-9+.
What are the key properties of (E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide?
(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 295.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 17455354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).