(E)-N-methyl-3-(1,3-thiazol-5-yl)prop-2-enamide

C7H8N2OS — CID 131242995

IUPAC(E)-N-methyl-3-(1,3-thiazol-5-yl)prop-2-enamide
SMILESCNC(=O)/C=C/c1cncs1
InChIInChI=1S/C7H8N2OS/c1-8-7(10)3-2-6-4-9-5-11-6/h2-5H,1H3,(H,8,10)/b3-2+
InChIKeyVCYZMHMMOVWALX-NSCUHMNNSA-N
MW168.22 g/mol
LogP0.90
Rot. Bonds2

About (E)-N-methyl-3-(1,3-thiazol-5-yl)prop-2-enamide

(E)-N-methyl-3-(1,3-thiazol-5-yl)prop-2-enamide (PubChem CID 131242995) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is (E)-N-methyl-3-(1,3-thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-(1,3-thiazol-5-yl)prop-2-enamide
PubChem CID131242995
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name(E)-N-methyl-3-(1,3-thiazol-5-yl)prop-2-enamide
SMILESCNC(=O)/C=C/c1cncs1
InChIInChI=1S/C7H8N2OS/c1-8-7(10)3-2-6-4-9-5-11-6/h2-5H,1H3,(H,8,10)/b3-2+
InChIKeyVCYZMHMMOVWALX-NSCUHMNNSA-N
XLogP0.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.90
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

(5Z)-2-sulfanylidene-5-(1,3-thiazol-5-ylmethylidene)-1,3-thiazolidin-4-one
CID 137648872
4-(Thiazol-5-yl)but-3-en-2-one
CID 69098587
(Z)-2-amino-N-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 178688998
5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide
CID 59218000
5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
CID 59854555
N,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 68849301
4-(1,3-Thiazol-5-yl)but-3-en-2-one
CID 69098586
(5Z)-2-methylidene-5-[(2-methyl-1,3-thiazol-5-yl)methylidene]-1,3-thiazolidin-4-one
CID 70837535
(5Z)-5-[(2-tert-butyl-1,3-thiazol-5-yl)methylidene]-2-methylidene-1,3-thiazolidin-4-one
CID 70837536
3-(1,3-Thiazol-5-yl)prop-2-enamide
CID 76221186
CID 89017755
CID 89017755
5-(1,3-thiazol-5-yl)-1H-pyridin-2-one
CID 90242272

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(1,3-thiazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-(1,3-thiazol-5-yl)prop-2-enamide (CID 131242995) is (E)-N-methyl-3-(1,3-thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-(1,3-thiazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-(1,3-thiazol-5-yl)prop-2-enamide is CNC(=O)/C=C/c1cncs1.
What is the InChIKey of (E)-N-methyl-3-(1,3-thiazol-5-yl)prop-2-enamide?
The InChIKey is VCYZMHMMOVWALX-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-8-7(10)3-2-6-4-9-5-11-6/h2-5H,1H3,(H,8,10)/b3-2+.
What are the key properties of (E)-N-methyl-3-(1,3-thiazol-5-yl)prop-2-enamide?
(E)-N-methyl-3-(1,3-thiazol-5-yl)prop-2-enamide has a molecular weight of 168.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(1,3-thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 131242995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).