(Z)-3-methoxy-2-(methylideneamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide

C15H15N3O2S — CID 166971934

IUPAC(Z)-3-methoxy-2-(methylideneamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESC=N/C(=C\OC)C(=O)Nc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C15H15N3O2S/c1-10-4-6-11(7-5-10)13-9-21-15(17-13)18-14(19)12(16-2)8-20-3/h4-9H,2H2,1,3H3,(H,17,18,19)/b12-8-
InChIKeyAYJHXCYUOHGIHK-WQLSENKSSA-N
MW301.37 g/mol
LogP3.25
Rot. Bonds5

About (Z)-3-methoxy-2-(methylideneamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide

(Z)-3-methoxy-2-(methylideneamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 166971934) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is (Z)-3-methoxy-2-(methylideneamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-methoxy-2-(methylideneamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID166971934
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name(Z)-3-methoxy-2-(methylideneamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESC=N/C(=C\OC)C(=O)Nc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C15H15N3O2S/c1-10-4-6-11(7-5-10)13-9-21-15(17-13)18-14(19)12(16-2)8-20-3/h4-9H,2H2,1,3H3,(H,17,18,19)/b12-8-
InChIKeyAYJHXCYUOHGIHK-WQLSENKSSA-N
XLogP3.25
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 2449771
3-(4-methoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 2790166
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]nonanamide
CID 4183627
2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 896069
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 2999703
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
methyl 4-[2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazol-4-yl]benzoate
CID 43951125
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 4551012
2-(cyclopropylmethylamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119676910
methane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
CID 159351221
(1S,6S)-6-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1221076

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methoxy-2-(methylideneamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of (Z)-3-methoxy-2-(methylideneamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide (CID 166971934) is (Z)-3-methoxy-2-(methylideneamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for (Z)-3-methoxy-2-(methylideneamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for (Z)-3-methoxy-2-(methylideneamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide is C=N/C(=C\OC)C(=O)Nc1nc(-c2ccc(C)cc2)cs1.
What is the InChIKey of (Z)-3-methoxy-2-(methylideneamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is AYJHXCYUOHGIHK-WQLSENKSSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-4-6-11(7-5-10)13-9-21-15(17-13)18-14(19)12(16-2)8-20-3/h4-9H,2H2,1,3H3,(H,17,18,19)/b12-8-.
What are the key properties of (Z)-3-methoxy-2-(methylideneamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide?
(Z)-3-methoxy-2-(methylideneamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 301.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methoxy-2-(methylideneamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 166971934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).