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

C9H12N2OS — CID 60949049

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(C)Cc1cnc(C)s1
InChIInChI=1S/C9H12N2OS/c1-4-9(12)11(3)6-8-5-10-7(2)13-8/h4-5H,1,6H2,2-3H3
InChIKeyRVHWRPYFVPLHBL-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.60
Rot. Bonds3

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

N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide (PubChem CID 60949049) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
PubChem CID60949049
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(C)Cc1cnc(C)s1
InChIInChI=1S/C9H12N2OS/c1-4-9(12)11(3)6-8-5-10-7(2)13-8/h4-5H,1,6H2,2-3H3
InChIKeyRVHWRPYFVPLHBL-UHFFFAOYSA-N
XLogP1.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(2-pyrazol-1-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 139015287
2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 107904478
3,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113349585
2-hydroxyethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 79346230
2-amino-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 54872501
2,2,2-trifluoroethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 61067669
N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 165376869
2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoic acid
CID 63021521
N-methyl-1-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 146083931
2-(4-aminophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide;dihydrochloride
CID 119859279
2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide
CID 62489621
6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide
CID 61052923

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide (CID 60949049) is N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide is C=CC(=O)N(C)Cc1cnc(C)s1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
The InChIKey is RVHWRPYFVPLHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-4-9(12)11(3)6-8-5-10-7(2)13-8/h4-5H,1,6H2,2-3H3.
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide has a molecular weight of 196.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide is sourced from PubChem (CID 60949049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).