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

C7H8N2OS — CID 131243669

IUPAC(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide
SMILESCc1ncc(/C=C/C(N)=O)s1
InChIInChI=1S/C7H8N2OS/c1-5-9-4-6(11-5)2-3-7(8)10/h2-4H,1H3,(H2,8,10)/b3-2+
InChIKeyWJDDYONUCCSZHQ-NSCUHMNNSA-N
MW168.22 g/mol
LogP0.95
Rot. Bonds2

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

(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide (PubChem CID 131243669) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is (E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide
PubChem CID131243669
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide
SMILESCc1ncc(/C=C/C(N)=O)s1
InChIInChI=1S/C7H8N2OS/c1-5-9-4-6(11-5)2-3-7(8)10/h2-4H,1H3,(H2,8,10)/b3-2+
InChIKeyWJDDYONUCCSZHQ-NSCUHMNNSA-N
XLogP0.95
TPSA55.98 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 ≤ 50.95
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
2-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole
CID 57305421
(E)-N-methyl-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 131242995
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one
CID 106787609
4-(2-Methyl-1,3-thiazol-5-yl)but-3-en-2-one
CID 13934729
1-(2-Methyl-5-thiazolyl)but-1-en-3-one
CID 54191430
N,N-dimethyl-5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide
CID 59217984
5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide
CID 59218000
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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide (CID 131243669) is (E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide is Cc1ncc(/C=C/C(N)=O)s1.
What is the InChIKey of (E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide?
The InChIKey is WJDDYONUCCSZHQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-5-9-4-6(11-5)2-3-7(8)10/h2-4H,1H3,(H2,8,10)/b3-2+.
What are the key properties of (E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide?
(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide has a molecular weight of 168.22 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 131243669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).