2-[2-[[(E)-pent-3-enoyl]amino]-1,3-thiazol-4-yl]acetate

C10H11N2O3S- — CID 7021215

IUPAC2-[2-[[(E)-pent-3-enoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESC/C=C/CC(=O)Nc1nc(CC(=O)[O-])cs1
InChIInChI=1S/C10H12N2O3S/c1-2-3-4-8(13)12-10-11-7(6-16-10)5-9(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)(H,11,12,13)/p-1/b3-2+
InChIKeyIKPDOEHAIQYOQN-NSCUHMNNSA-M
MW239.28 g/mol
LogP0.34
Rot. Bonds5

About 2-[2-[[(E)-pent-3-enoyl]amino]-1,3-thiazol-4-yl]acetate

2-[2-[[(E)-pent-3-enoyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 7021215) has the molecular formula C10H11N2O3S- and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[2-[[(E)-pent-3-enoyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-[[(E)-pent-3-enoyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID7021215
Molecular FormulaC10H11N2O3S-
Molecular Weight239.28 g/mol
Exact Mass239.05
IUPAC Name2-[2-[[(E)-pent-3-enoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESC/C=C/CC(=O)Nc1nc(CC(=O)[O-])cs1
InChIInChI=1S/C10H12N2O3S/c1-2-3-4-8(13)12-10-11-7(6-16-10)5-9(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)(H,11,12,13)/p-1/b3-2+
InChIKeyIKPDOEHAIQYOQN-NSCUHMNNSA-M
XLogP0.34
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-phenylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 6932823
N-(4-ethyl-1,3-thiazol-2-yl)butanamide
CID 87065374
2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 7361431
6-[2-[[4-(carboxylatomethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-2-carboxylate
CID 7195933
N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]butanamide
CID 123465394
methyl 2-[2-(heptanoylamino)-1,3-thiazol-4-yl]acetate
CID 43431303
methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62589885
N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide
CID 130668454
2-[2-[[2-[(2-chlorobenzoyl)-propan-2-ylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 7231958
2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]acetic acid
CID 16785815
2-[2-[[(Z)-2-methylbut-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 115909600
methyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 61354731

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(E)-pent-3-enoyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-[[(E)-pent-3-enoyl]amino]-1,3-thiazol-4-yl]acetate (CID 7021215) is 2-[2-[[(E)-pent-3-enoyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-[[(E)-pent-3-enoyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-[[(E)-pent-3-enoyl]amino]-1,3-thiazol-4-yl]acetate is C/C=C/CC(=O)Nc1nc(CC(=O)[O-])cs1.
What is the InChIKey of 2-[2-[[(E)-pent-3-enoyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is IKPDOEHAIQYOQN-NSCUHMNNSA-M. The full InChI is InChI=1S/C10H12N2O3S/c1-2-3-4-8(13)12-10-11-7(6-16-10)5-9(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)(H,11,12,13)/p-1/b3-2+.
What are the key properties of 2-[2-[[(E)-pent-3-enoyl]amino]-1,3-thiazol-4-yl]acetate?
2-[2-[[(E)-pent-3-enoyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 239.28 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(E)-pent-3-enoyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 7021215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).