N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide

C16H18N2OS — CID 2861258

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
SMILESCC(C)(C)c1csc(NC(=O)C=Cc2ccccc2)n1
InChIInChI=1S/C16H18N2OS/c1-16(2,3)13-11-20-15(17-13)18-14(19)10-9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,17,18,19)
InChIKeyXPQSWEPTQDDZMK-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.09
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide (PubChem CID 2861258) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
PubChem CID2861258
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
SMILESCC(C)(C)c1csc(NC(=O)C=Cc2ccccc2)n1
InChIInChI=1S/C16H18N2OS/c1-16(2,3)13-11-20-15(17-13)18-14(19)10-9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,17,18,19)
InChIKeyXPQSWEPTQDDZMK-UHFFFAOYSA-N
XLogP4.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.09
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

(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 24632450
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide
CID 4032813
(E)-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
CID 16959470
(E)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 16820246
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 1223668
3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 732155
(E)-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide
CID 53268886
(E)-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 41229516
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
(E)-N-[4-[(2-amino-2-oxoethyl)sulfanylmethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 16820654
(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 92904671
(E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 41229532

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide (CID 2861258) is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide is CC(C)(C)c1csc(NC(=O)C=Cc2ccccc2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide?
The InChIKey is XPQSWEPTQDDZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-16(2,3)13-11-20-15(17-13)18-14(19)10-9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,17,18,19).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide has a molecular weight of 286.40 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 2861258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).