N-methyl-N-[(2-pyrazol-1-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide

C11H12N4OS — CID 139015287

IUPACN-methyl-N-[(2-pyrazol-1-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(C)Cc1cnc(-n2cccn2)s1
InChIInChI=1S/C11H12N4OS/c1-3-10(16)14(2)8-9-7-12-11(17-9)15-6-4-5-13-15/h3-7H,1,8H2,2H3
InChIKeyMIPMVKMZRCAGKE-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.47
Rot. Bonds4

About N-methyl-N-[(2-pyrazol-1-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide

N-methyl-N-[(2-pyrazol-1-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide (PubChem CID 139015287) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N-methyl-N-[(2-pyrazol-1-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[(2-pyrazol-1-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide
PubChem CID139015287
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN-methyl-N-[(2-pyrazol-1-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(C)Cc1cnc(-n2cccn2)s1
InChIInChI=1S/C11H12N4OS/c1-3-10(16)14(2)8-9-7-12-11(17-9)15-6-4-5-13-15/h3-7H,1,8H2,2H3
InChIKeyMIPMVKMZRCAGKE-UHFFFAOYSA-N
XLogP1.47
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.47
H-Bond Donors ≤ 50
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 N-methyl-N-[(2-pyrazol-1-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[(2-pyrazol-1-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide (CID 139015287) is N-methyl-N-[(2-pyrazol-1-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[(2-pyrazol-1-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[(2-pyrazol-1-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide is C=CC(=O)N(C)Cc1cnc(-n2cccn2)s1.
What is the InChIKey of N-methyl-N-[(2-pyrazol-1-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
The InChIKey is MIPMVKMZRCAGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-3-10(16)14(2)8-9-7-12-11(17-9)15-6-4-5-13-15/h3-7H,1,8H2,2H3.
What are the key properties of N-methyl-N-[(2-pyrazol-1-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
N-methyl-N-[(2-pyrazol-1-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide has a molecular weight of 248.31 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-pyrazol-1-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide is sourced from PubChem (CID 139015287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).