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

C11H9F3N4OS — CID 39700299

IUPAC(E)-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESCn1cc(/C=C/C(=O)Nc2nc(C(F)(F)F)cs2)cn1
InChIInChI=1S/C11H9F3N4OS/c1-18-5-7(4-15-18)2-3-9(19)17-10-16-8(6-20-10)11(12,13)14/h2-6H,1H3,(H,16,17,19)/b3-2+
InChIKeySPDNXPABOFSZOW-NSCUHMNNSA-N
MW302.28 g/mol
LogP2.55
Rot. Bonds3

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

(E)-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 39700299) has the molecular formula C11H9F3N4OS and a molecular weight of 302.28 g/mol. Its IUPAC name is (E)-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID39700299
Molecular FormulaC11H9F3N4OS
Molecular Weight302.28 g/mol
Exact Mass302.04
IUPAC Name(E)-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESCn1cc(/C=C/C(=O)Nc2nc(C(F)(F)F)cs2)cn1
InChIInChI=1S/C11H9F3N4OS/c1-18-5-7(4-15-18)2-3-9(19)17-10-16-8(6-20-10)11(12,13)14/h2-6H,1H3,(H,16,17,19)/b3-2+
InChIKeySPDNXPABOFSZOW-NSCUHMNNSA-N
XLogP2.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(1-Methylpyrazol-4-yl)-2-(4-trifluoromethylthiazol-2-yl)pyrimidin-4-ol
CID 136136775
6-(1-Ethylpyrazol-4-yl)-2-(4-trifluoromethylthiazol-2-yl)pyrimidin-4-ol
CID 136136785
3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 72155539
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 86982829
(Z)-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 97540178
3-(difluoromethyl)-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 137889322
(E)-3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 29110334
(E)-3-(2-(1-methyl-1H-pyrazol-4-yl)thiazol-4-yl)acryloyl azide
CID 117772640
(E)-3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enamide
CID 126575255
4-(1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 136771850
3-[2-(1-Methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enoyl azide
CID 154051409
N'-[6-oxo-5-propan-2-yl-4-(2-pyrazol-1-yl-1,3-thiazol-4-yl)-1H-pyrimidin-2-yl]methanimidamide
CID 173754320

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide (CID 39700299) is (E)-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide is Cn1cc(/C=C/C(=O)Nc2nc(C(F)(F)F)cs2)cn1.
What is the InChIKey of (E)-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is SPDNXPABOFSZOW-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H9F3N4OS/c1-18-5-7(4-15-18)2-3-9(19)17-10-16-8(6-20-10)11(12,13)14/h2-6H,1H3,(H,16,17,19)/b3-2+.
What are the key properties of (E)-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide?
(E)-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 302.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 39700299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).