(E)-N,N-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide

C9H12N2OS — CID 131234715

IUPAC(E)-N,N-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide
SMILESCc1ncsc1/C=C/C(=O)N(C)C
InChIInChI=1S/C9H12N2OS/c1-7-8(13-6-10-7)4-5-9(12)11(2)3/h4-6H,1-3H3/b5-4+
InChIKeySWYOCNINMSFCQW-SNAWJCMRSA-N
MW196.27 g/mol
LogP1.55
Rot. Bonds2

About (E)-N,N-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide

(E)-N,N-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide (PubChem CID 131234715) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide
PubChem CID131234715
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name(E)-N,N-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide
SMILESCc1ncsc1/C=C/C(=O)N(C)C
InChIInChI=1S/C9H12N2OS/c1-7-8(13-6-10-7)4-5-9(12)11(2)3/h4-6H,1-3H3/b5-4+
InChIKeySWYOCNINMSFCQW-SNAWJCMRSA-N
XLogP1.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N,N-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide (CID 131234715) is (E)-N,N-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N,N-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N,N-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide is Cc1ncsc1/C=C/C(=O)N(C)C.
What is the InChIKey of (E)-N,N-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide?
The InChIKey is SWYOCNINMSFCQW-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-7-8(13-6-10-7)4-5-9(12)11(2)3/h4-6H,1-3H3/b5-4+.
What are the key properties of (E)-N,N-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide?
(E)-N,N-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide has a molecular weight of 196.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 131234715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).