N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]prop-2-enamide

C9H12N2OS — CID 131129143

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1sc(C)nc1C
InChIInChI=1S/C9H12N2OS/c1-4-9(12)10-5-8-6(2)11-7(3)13-8/h4H,1,5H2,2-3H3,(H,10,12)
InChIKeyMZLKOSGYJVVPAZ-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.56
Rot. Bonds3

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]prop-2-enamide

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]prop-2-enamide (PubChem CID 131129143) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
PubChem CID131129143
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1sc(C)nc1C
InChIInChI=1S/C9H12N2OS/c1-4-9(12)10-5-8-6(2)11-7(3)13-8/h4H,1,5H2,2-3H3,(H,10,12)
InChIKeyMZLKOSGYJVVPAZ-UHFFFAOYSA-N
XLogP1.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
CID 83624959
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]prop-2-enamide
CID 130879609
(E)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 121122617
(2S)-2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]butanamide
CID 119891888
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclobutanecarboxamide
CID 121122773
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazole-1-carboxamide
CID 131101814
1-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 119891897
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 121122681
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111507929
1-cyclopentyl-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 71795572
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 121122799
2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
CID 119891864

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]prop-2-enamide (CID 131129143) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]prop-2-enamide is C=CC(=O)NCc1sc(C)nc1C.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
The InChIKey is MZLKOSGYJVVPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-4-9(12)10-5-8-6(2)11-7(3)13-8/h4H,1,5H2,2-3H3,(H,10,12).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]prop-2-enamide has a molecular weight of 196.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]prop-2-enamide is sourced from PubChem (CID 131129143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).