(E)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]but-2-enamide

C18H19N3O2S — CID 108754588

IUPAC(E)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]but-2-enamide
SMILESC/C=C/C(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)cs1
InChIInChI=1S/C18H19N3O2S/c1-5-6-15(22)20-17-19-13(10-24-17)11-7-8-14-12(9-11)18(2,3)16(23)21(14)4/h5-10H,1-4H3,(H,19,20,22)/b6-5+
InChIKeyRQTQSNCXHWYGRO-AATRIKPKSA-N
MW341.44 g/mol
LogP3.58
Rot. Bonds3

About (E)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]but-2-enamide

(E)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]but-2-enamide (PubChem CID 108754588) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (E)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]but-2-enamide
PubChem CID108754588
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(E)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]but-2-enamide
SMILESC/C=C/C(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)cs1
InChIInChI=1S/C18H19N3O2S/c1-5-6-15(22)20-17-19-13(10-24-17)11-7-8-14-12(9-11)18(2,3)16(23)21(14)4/h5-10H,1-4H3,(H,19,20,22)/b6-5+
InChIKeyRQTQSNCXHWYGRO-AATRIKPKSA-N
XLogP3.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]but-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(E)-3-oxo-3-[[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]amino]prop-1-enyl]benzoate
CID 108731016
(E)-3-(3,4-dimethoxyphenyl)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]prop-2-enamide
CID 108754646
2-methyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]prop-2-enamide
CID 108731032
3-chloro-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 108754688
3-bromo-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 108731130
3-methyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]butanamide
CID 108754604
2-(2-methoxyethoxy)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 108731053
N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 108754689
4-nitro-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 108754607
N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]methanesulfonamide
CID 108781169
1,3,3-trimethyl-5-[2-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]-1,3-thiazol-4-yl]indol-2-one
CID 108773272
2-(trifluoromethyl)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 108754585

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]but-2-enamide?
The IUPAC name of (E)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]but-2-enamide (CID 108754588) is (E)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]but-2-enamide.
What is the SMILES notation for (E)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]but-2-enamide?
The canonical SMILES for (E)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]but-2-enamide is C/C=C/C(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)cs1.
What is the InChIKey of (E)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]but-2-enamide?
The InChIKey is RQTQSNCXHWYGRO-AATRIKPKSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-5-6-15(22)20-17-19-13(10-24-17)11-7-8-14-12(9-11)18(2,3)16(23)21(14)4/h5-10H,1-4H3,(H,19,20,22)/b6-5+.
What are the key properties of (E)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]but-2-enamide?
(E)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]but-2-enamide has a molecular weight of 341.44 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]but-2-enamide is sourced from PubChem (CID 108754588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).