N-(2,1-benzothiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide

C15H14N4OS — CID 167887409

IUPACN-(2,1-benzothiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1cnn(C)c1)c1ccc2nscc2c1
InChIInChI=1S/C15H14N4OS/c1-3-15(20)19(9-11-7-16-18(2)8-11)13-4-5-14-12(6-13)10-21-17-14/h3-8,10H,1,9H2,2H3
InChIKeyDHYGTERQQUPBPP-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.75
Rot. Bonds4

About N-(2,1-benzothiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide

N-(2,1-benzothiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide (PubChem CID 167887409) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(2,1-benzothiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-(2,1-benzothiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide
PubChem CID167887409
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-(2,1-benzothiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1cnn(C)c1)c1ccc2nscc2c1
InChIInChI=1S/C15H14N4OS/c1-3-15(20)19(9-11-7-16-18(2)8-11)13-4-5-14-12(6-13)10-21-17-14/h3-8,10H,1,9H2,2H3
InChIKeyDHYGTERQQUPBPP-UHFFFAOYSA-N
XLogP2.75
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,1-benzothiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluoro-3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide
CID 166419917
N-[(2,6-difluoro-4-methylphenyl)methyl]-N-(1-methylpyrazol-4-yl)prop-2-enamide
CID 166419991
2-chloro-N-(4-chloro-3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 154879633
1-[2-(1-methylpyrazol-4-yl)-1,3-benzoxazol-6-yl]-1-(pyridin-4-ylmethyl)urea
CID 174213769
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinoline-3-carbaldehyde
CID 61442526
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 56744170
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide
CID 31850720
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 154880629
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(4-methyl-3-methylsulfonylphenyl)prop-2-enamide
CID 166415661
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylprop-2-enamide
CID 94636665
(E)-3-(2,5-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide
CID 31850189

Frequently Asked Questions

What is the IUPAC name of N-(2,1-benzothiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide?
The IUPAC name of N-(2,1-benzothiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide (CID 167887409) is N-(2,1-benzothiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-(2,1-benzothiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide?
The canonical SMILES for N-(2,1-benzothiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide is C=CC(=O)N(Cc1cnn(C)c1)c1ccc2nscc2c1.
What is the InChIKey of N-(2,1-benzothiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide?
The InChIKey is DHYGTERQQUPBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-3-15(20)19(9-11-7-16-18(2)8-11)13-4-5-14-12(6-13)10-21-17-14/h3-8,10H,1,9H2,2H3.
What are the key properties of N-(2,1-benzothiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide?
N-(2,1-benzothiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide has a molecular weight of 298.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1-benzothiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 167887409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).