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

C12H14N4OS — CID 43546560

IUPAC(E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCc1nc(/C=C/C(=O)Nc2c(C)n[nH]c2C)cs1
InChIInChI=1S/C12H14N4OS/c1-7-12(8(2)16-15-7)14-11(17)5-4-10-6-18-9(3)13-10/h4-6H,1-3H3,(H,14,17)(H,15,16)/b5-4+
InChIKeyWSIYPJPYIGWVLY-SNAWJCMRSA-N
MW262.34 g/mol
LogP2.44
Rot. Bonds3

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

(E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 43546560) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is (E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
PubChem CID43546560
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name(E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCc1nc(/C=C/C(=O)Nc2c(C)n[nH]c2C)cs1
InChIInChI=1S/C12H14N4OS/c1-7-12(8(2)16-15-7)14-11(17)5-4-10-6-18-9(3)13-10/h4-6H,1-3H3,(H,14,17)(H,15,16)/b5-4+
InChIKeyWSIYPJPYIGWVLY-SNAWJCMRSA-N
XLogP2.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.44
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (CID 43546560) is (E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is Cc1nc(/C=C/C(=O)Nc2c(C)n[nH]c2C)cs1.
What is the InChIKey of (E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is WSIYPJPYIGWVLY-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7-12(8(2)16-15-7)14-11(17)5-4-10-6-18-9(3)13-10/h4-6H,1-3H3,(H,14,17)(H,15,16)/b5-4+.
What are the key properties of (E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
(E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 262.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 43546560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).