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

C10H10N4OS — CID 29110334

IUPAC(E)-3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESCn1cc(/C=C/C(=O)Nc2nccs2)cn1
InChIInChI=1S/C10H10N4OS/c1-14-7-8(6-12-14)2-3-9(15)13-10-11-4-5-16-10/h2-7H,1H3,(H,11,13,15)/b3-2+
InChIKeyVDDSFZRFCVLWID-NSCUHMNNSA-N
MW234.28 g/mol
LogP1.53
Rot. Bonds3

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

(E)-3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 29110334) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is (E)-3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID29110334
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name(E)-3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESCn1cc(/C=C/C(=O)Nc2nccs2)cn1
InChIInChI=1S/C10H10N4OS/c1-14-7-8(6-12-14)2-3-9(15)13-10-11-4-5-16-10/h2-7H,1H3,(H,11,13,15)/b3-2+
InChIKeyVDDSFZRFCVLWID-NSCUHMNNSA-N
XLogP1.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.53
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 29110334) is (E)-3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide is Cn1cc(/C=C/C(=O)Nc2nccs2)cn1.
What is the InChIKey of (E)-3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is VDDSFZRFCVLWID-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H10N4OS/c1-14-7-8(6-12-14)2-3-9(15)13-10-11-4-5-16-10/h2-7H,1H3,(H,11,13,15)/b3-2+.
What are the key properties of (E)-3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 234.28 g/mol, XLogP of 1.53, 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-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 29110334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).