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

C10H14N2OS — CID 108737160

IUPAC2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NC(C)c1csc(C)n1
InChIInChI=1S/C10H14N2OS/c1-6(2)10(13)11-7(3)9-5-14-8(4)12-9/h5,7H,1H2,2-4H3,(H,11,13)
InChIKeyIWMYQONTVRWFHJ-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.20
Rot. Bonds3

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

2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide (PubChem CID 108737160) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide
PubChem CID108737160
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NC(C)c1csc(C)n1
InChIInChI=1S/C10H14N2OS/c1-6(2)10(13)11-7(3)9-5-14-8(4)12-9/h5,7H,1H2,2-4H3,(H,11,13)
InChIKeyIWMYQONTVRWFHJ-UHFFFAOYSA-N
XLogP2.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.20
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-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-N-propan-2-ylacetamide
CID 32049043
N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 85879992
3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 23613014
4-[(2-Tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-2-one
CID 36925170
2-propylsulfanyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49346804
N-[(1S*,2R*)-2-aminocyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 56896056
6-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 72049082
2-[1-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylpropanamide
CID 75504825
N~2~-cyclopropyl-N~1~-({2-[(methylthio)methyl]-1,3-thiazol-4-yl}methyl)glycinamide
CID 77085318
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 86814871
2-[cyclopropyl(methyl)amino]-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 96415350
4-methyl-N-[2-oxo-2-[[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]ethyl]pentanamide
CID 96547693

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide (CID 108737160) is 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide is C=C(C)C(=O)NC(C)c1csc(C)n1.
What is the InChIKey of 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide?
The InChIKey is IWMYQONTVRWFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-6(2)10(13)11-7(3)9-5-14-8(4)12-9/h5,7H,1H2,2-4H3,(H,11,13).
What are the key properties of 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide?
2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide has a molecular weight of 210.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 108737160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).