(E)-3-(ethylamino)-N-(1,3-thiazol-2-yl)prop-2-enamide

C8H11N3OS — CID 131274999

IUPAC(E)-3-(ethylamino)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESCCN/C=C/C(=O)Nc1nccs1
InChIInChI=1S/C8H11N3OS/c1-2-9-4-3-7(12)11-8-10-5-6-13-8/h3-6,9H,2H2,1H3,(H,10,11,12)/b4-3+
InChIKeyXNRMYVCJCFNATA-ONEGZZNKSA-N
MW197.26 g/mol
LogP1.20
Rot. Bonds4

About (E)-3-(ethylamino)-N-(1,3-thiazol-2-yl)prop-2-enamide

(E)-3-(ethylamino)-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 131274999) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is (E)-3-(ethylamino)-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(ethylamino)-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID131274999
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name(E)-3-(ethylamino)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESCCN/C=C/C(=O)Nc1nccs1
InChIInChI=1S/C8H11N3OS/c1-2-9-4-3-7(12)11-8-10-5-6-13-8/h3-6,9H,2H2,1H3,(H,10,11,12)/b4-3+
InChIKeyXNRMYVCJCFNATA-ONEGZZNKSA-N
XLogP1.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-oxo-4-(1,3-thiazol-2-ylamino)but-2-enoate
CID 3119914
ethyl (E)-4-oxo-4-(1,3-thiazol-2-ylamino)but-2-enoate
CID 2106440
(E)-4-methoxy-N-(1,3-thiazol-2-yl)but-2-enamide
CID 131235420
1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 115603490
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
1,3-thiazol-2-ylurea;hydrochloride
CID 118455578
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
N-methyl-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzamide
CID 134062092
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752
2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765

Frequently Asked Questions

What is the IUPAC name of (E)-3-(ethylamino)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(ethylamino)-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 131274999) is (E)-3-(ethylamino)-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(ethylamino)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(ethylamino)-N-(1,3-thiazol-2-yl)prop-2-enamide is CCN/C=C/C(=O)Nc1nccs1.
What is the InChIKey of (E)-3-(ethylamino)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is XNRMYVCJCFNATA-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-2-9-4-3-7(12)11-8-10-5-6-13-8/h3-6,9H,2H2,1H3,(H,10,11,12)/b4-3+.
What are the key properties of (E)-3-(ethylamino)-N-(1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-(ethylamino)-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 197.26 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(ethylamino)-N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 131274999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).