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

C13H20N2OS — CID 51075137

IUPAC(E)-3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylprop-2-enamide
SMILESCCCN(CCC)C(=O)/C=C/c1csc(C)n1
InChIInChI=1S/C13H20N2OS/c1-4-8-15(9-5-2)13(16)7-6-12-10-17-11(3)14-12/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
InChIKeyZXEXNKKZDCRHDH-VOTSOKGWSA-N
MW252.38 g/mol
LogP3.11
Rot. Bonds6

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

(E)-3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylprop-2-enamide (PubChem CID 51075137) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (E)-3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylprop-2-enamide
PubChem CID51075137
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(E)-3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylprop-2-enamide
SMILESCCCN(CCC)C(=O)/C=C/c1csc(C)n1
InChIInChI=1S/C13H20N2OS/c1-4-8-15(9-5-2)13(16)7-6-12-10-17-11(3)14-12/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
InChIKeyZXEXNKKZDCRHDH-VOTSOKGWSA-N
XLogP3.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.11
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)-3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylprop-2-enamide?
The IUPAC name of (E)-3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylprop-2-enamide (CID 51075137) is (E)-3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylprop-2-enamide?
The canonical SMILES for (E)-3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylprop-2-enamide is CCCN(CCC)C(=O)/C=C/c1csc(C)n1.
What is the InChIKey of (E)-3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylprop-2-enamide?
The InChIKey is ZXEXNKKZDCRHDH-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-4-8-15(9-5-2)13(16)7-6-12-10-17-11(3)14-12/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+.
What are the key properties of (E)-3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylprop-2-enamide?
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylprop-2-enamide has a molecular weight of 252.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylprop-2-enamide is sourced from PubChem (CID 51075137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).