N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-methylbutanamide

C18H21N3O2S — CID 39073433

IUPACN-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-methylbutanamide
SMILESCC(=O)N1CCc2ccc(-c3csc(NC(=O)CC(C)C)n3)cc21
InChIInChI=1S/C18H21N3O2S/c1-11(2)8-17(23)20-18-19-15(10-24-18)14-5-4-13-6-7-21(12(3)22)16(13)9-14/h4-5,9-11H,6-8H2,1-3H3,(H,19,20,23)
InChIKeyCISUJMAPBYVUIN-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.70
Rot. Bonds4

About N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-methylbutanamide

N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-methylbutanamide (PubChem CID 39073433) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-methylbutanamide
PubChem CID39073433
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-methylbutanamide
SMILESCC(=O)N1CCc2ccc(-c3csc(NC(=O)CC(C)C)n3)cc21
InChIInChI=1S/C18H21N3O2S/c1-11(2)8-17(23)20-18-19-15(10-24-18)14-5-4-13-6-7-21(12(3)22)16(13)9-14/h4-5,9-11H,6-8H2,1-3H3,(H,19,20,23)
InChIKeyCISUJMAPBYVUIN-UHFFFAOYSA-N
XLogP3.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide
CID 39073559
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 39073469
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-2,3,4-trifluorobenzamide
CID 39073636
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-fluorobenzamide
CID 39073454
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 39073479
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 39073463
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 39073464
3-methyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]butanamide
CID 108754604
N-[4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
CID 1451036
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 28861460
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 4232837
3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide
CID 17444226

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-methylbutanamide?
The IUPAC name of N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-methylbutanamide (CID 39073433) is N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-methylbutanamide is CC(=O)N1CCc2ccc(-c3csc(NC(=O)CC(C)C)n3)cc21.
What is the InChIKey of N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-methylbutanamide?
The InChIKey is CISUJMAPBYVUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-11(2)8-17(23)20-18-19-15(10-24-18)14-5-4-13-6-7-21(12(3)22)16(13)9-14/h4-5,9-11H,6-8H2,1-3H3,(H,19,20,23).
What are the key properties of N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-methylbutanamide?
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-methylbutanamide has a molecular weight of 343.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-methylbutanamide is sourced from PubChem (CID 39073433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).