(E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

C7H8N2O2S — CID 131237074

IUPAC(E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCc1nc(/C=C/C(=O)NO)cs1
InChIInChI=1S/C7H8N2O2S/c1-5-8-6(4-12-5)2-3-7(10)9-11/h2-4,11H,1H3,(H,9,10)/b3-2+
InChIKeyITDWHNDMKLDWCR-NSCUHMNNSA-N
MW184.22 g/mol
LogP0.97
Rot. Bonds2

About (E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

(E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 131237074) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is (E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
PubChem CID131237074
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name(E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCc1nc(/C=C/C(=O)NO)cs1
InChIInChI=1S/C7H8N2O2S/c1-5-8-6(4-12-5)2-3-7(10)9-11/h2-4,11H,1H3,(H,9,10)/b3-2+
InChIKeyITDWHNDMKLDWCR-NSCUHMNNSA-N
XLogP0.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide
CID 47140362
methyl 3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 57148702
(E)-N-[(2R)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 83058567
(E)-N-(2-methoxyethoxy)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 79673967
(E)-N-(2-ethylbutyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 115612896
(2R)-2-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]butanoic acid
CID 79022664
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 47142635
(E)-N-[1-(hydroxymethyl)cyclopropyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 115877565
(E)-N-(5-hydroxypentyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 107319083
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)prop-2-enamide
CID 78837842
(E)-N-(5-methyl-1H-pyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 63819721
5-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]pentanoic acid
CID 77016475

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (CID 131237074) is (E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is Cc1nc(/C=C/C(=O)NO)cs1.
What is the InChIKey of (E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is ITDWHNDMKLDWCR-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H8N2O2S/c1-5-8-6(4-12-5)2-3-7(10)9-11/h2-4,11H,1H3,(H,9,10)/b3-2+.
What are the key properties of (E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
(E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 184.22 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 131237074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).