N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]buta-2,3-dienamide

C10H12N2OS — CID 176529824

IUPACN-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]buta-2,3-dienamide
SMILESC=C=CC(=O)NC(C)c1cnc(C)s1
InChIInChI=1S/C10H12N2OS/c1-4-5-10(13)12-7(2)9-6-11-8(3)14-9/h5-7H,1H2,2-3H3,(H,12,13)
InChIKeyMMIMIKYJMVRZFZ-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.97
Rot. Bonds3

About N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]buta-2,3-dienamide

N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]buta-2,3-dienamide (PubChem CID 176529824) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]buta-2,3-dienamide.

Molecular Properties

Compound NameN-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]buta-2,3-dienamide
PubChem CID176529824
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC NameN-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]buta-2,3-dienamide
SMILESC=C=CC(=O)NC(C)c1cnc(C)s1
InChIInChI=1S/C10H12N2OS/c1-4-5-10(13)12-7(2)9-6-11-8(3)14-9/h5-7H,1H2,2-3H3,(H,12,13)
InChIKeyMMIMIKYJMVRZFZ-UHFFFAOYSA-N
XLogP1.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.97
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

5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-yltriazole-4-carboxamide
CID 138031637
4-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2-carboxamide
CID 138030705
methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)acetate
CID 130580412
2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 115777969
N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pent-4-en-2-amine
CID 115890511
2-(2,4-difluorophenyl)-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 138029901
3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
CID 115777954
N-but-3-yn-2-yl-2-methyl-1,3-thiazole-5-carboxamide
CID 104919668
methyl 2-chloro-2-(2-methyl-1,3-thiazol-5-yl)acetate
CID 130580444
(3R)-3-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 96749685
2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole
CID 166765987
2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 103716600

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]buta-2,3-dienamide?
The IUPAC name of N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]buta-2,3-dienamide (CID 176529824) is N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]buta-2,3-dienamide.
What is the SMILES notation for N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]buta-2,3-dienamide?
The canonical SMILES for N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]buta-2,3-dienamide is C=C=CC(=O)NC(C)c1cnc(C)s1.
What is the InChIKey of N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]buta-2,3-dienamide?
The InChIKey is MMIMIKYJMVRZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-4-5-10(13)12-7(2)9-6-11-8(3)14-9/h5-7H,1H2,2-3H3,(H,12,13).
What are the key properties of N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]buta-2,3-dienamide?
N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]buta-2,3-dienamide has a molecular weight of 208.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]buta-2,3-dienamide is sourced from PubChem (CID 176529824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).