(E)-N-(5-methyl-1H-pyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

C11H12N4OS — CID 63819721

IUPAC(E)-N-(5-methyl-1H-pyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2csc(C)n2)n[nH]1
InChIInChI=1S/C11H12N4OS/c1-7-5-10(15-14-7)13-11(16)4-3-9-6-17-8(2)12-9/h3-6H,1-2H3,(H2,13,14,15,16)/b4-3+
InChIKeyILLRPGGBWZUPLL-ONEGZZNKSA-N
MW248.31 g/mol
LogP2.13
Rot. Bonds3

About (E)-N-(5-methyl-1H-pyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

(E)-N-(5-methyl-1H-pyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 63819721) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is (E)-N-(5-methyl-1H-pyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-methyl-1H-pyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
PubChem CID63819721
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name(E)-N-(5-methyl-1H-pyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2csc(C)n2)n[nH]1
InChIInChI=1S/C11H12N4OS/c1-7-5-10(15-14-7)13-11(16)4-3-9-6-17-8(2)12-9/h3-6H,1-2H3,(H2,13,14,15,16)/b4-3+
InChIKeyILLRPGGBWZUPLL-ONEGZZNKSA-N
XLogP2.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.13
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

(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619840
(E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 131237074
(E)-N-(1-methylpyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 16617501
N-(5-methyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 77020045
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)prop-2-enamide
CID 78837842
(E)-3-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 55028215
3-(2-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 78952338
(E)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 25470231
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide
CID 47140362
3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 78952320
methyl 3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 57148702
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 84552797

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-methyl-1H-pyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-(5-methyl-1H-pyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (CID 63819721) is (E)-N-(5-methyl-1H-pyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-methyl-1H-pyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-methyl-1H-pyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is Cc1cc(NC(=O)/C=C/c2csc(C)n2)n[nH]1.
What is the InChIKey of (E)-N-(5-methyl-1H-pyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is ILLRPGGBWZUPLL-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7-5-10(15-14-7)13-11(16)4-3-9-6-17-8(2)12-9/h3-6H,1-2H3,(H2,13,14,15,16)/b4-3+.
What are the key properties of (E)-N-(5-methyl-1H-pyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
(E)-N-(5-methyl-1H-pyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 248.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-methyl-1H-pyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 63819721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).