(E)-N-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide

C11H16N2OS — CID 102230769

IUPAC(E)-N-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCc1csc(/C=C/C(=O)NC(C)(C)C)n1
InChIInChI=1S/C11H16N2OS/c1-8-7-15-10(12-8)6-5-9(14)13-11(2,3)4/h5-7H,1-4H3,(H,13,14)/b6-5+
InChIKeyJUHCPKNEAVMSCE-AATRIKPKSA-N
MW224.33 g/mol
LogP2.38
Rot. Bonds2

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

(E)-N-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 102230769) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is (E)-N-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID102230769
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name(E)-N-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCc1csc(/C=C/C(=O)NC(C)(C)C)n1
InChIInChI=1S/C11H16N2OS/c1-8-7-15-10(12-8)6-5-9(14)13-11(2,3)4/h5-7H,1-4H3,(H,13,14)/b6-5+
InChIKeyJUHCPKNEAVMSCE-AATRIKPKSA-N
XLogP2.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.38
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)-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 55266811
1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane
CID 143608747
(E)-N-tert-butyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923455
(2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 40707204
(E)-N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide
CID 923522
methyl 5-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate
CID 17398738
3,3,3-trifluoro-2-methyl-2-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]propanoic acid
CID 79796159
N-[(4-methyl-1,3-thiazol-2-yl)methylidene]hydroxylamine
CID 136739066
(E)-3-(4-tert-butylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 108760236
(E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 898821
(E)-4-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-amine
CID 104771695
2,2-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-one
CID 83388796

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide (CID 102230769) is (E)-N-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide is Cc1csc(/C=C/C(=O)NC(C)(C)C)n1.
What is the InChIKey of (E)-N-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is JUHCPKNEAVMSCE-AATRIKPKSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-7-15-10(12-8)6-5-9(14)13-11(2,3)4/h5-7H,1-4H3,(H,13,14)/b6-5+.
What are the key properties of (E)-N-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
(E)-N-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 224.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 102230769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).