N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide

C18H21N3O2S — CID 78872729

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)Nc3nc(C(C)(C)C)cs3)c2c1
InChIInChI=1S/C18H21N3O2S/c1-18(2,3)15-10-24-17(20-15)21-16(22)7-11-9-19-14-6-5-12(23-4)8-13(11)14/h5-6,8-10,19H,7H2,1-4H3,(H,20,21,22)
InChIKeyLSEIQUTWCQQXOP-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.11
Rot. Bonds4

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide (PubChem CID 78872729) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide
PubChem CID78872729
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)Nc3nc(C(C)(C)C)cs3)c2c1
InChIInChI=1S/C18H21N3O2S/c1-18(2,3)15-10-24-17(20-15)21-16(22)7-11-9-19-14-6-5-12(23-4)8-13(11)14/h5-6,8-10,19H,7H2,1-4H3,(H,20,21,22)
InChIKeyLSEIQUTWCQQXOP-UHFFFAOYSA-N
XLogP4.11
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
N-(4-bromophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209668
2-(5-methoxy-1H-indol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 78873771
2-(5-methoxy-1H-indol-3-yl)-N-(2-methyl-1,3-thiazol-5-yl)acetamide
CID 154833363
2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxybenzamide
CID 42995916
N-(2,6-dichlorophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209712
N-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 110910870
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]acetamide
CID 124749387
methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209687
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide
CID 32995528
methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate
CID 58843105

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide (CID 78872729) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide is COc1ccc2[nH]cc(CC(=O)Nc3nc(C(C)(C)C)cs3)c2c1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide?
The InChIKey is LSEIQUTWCQQXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-18(2,3)15-10-24-17(20-15)21-16(22)7-11-9-19-14-6-5-12(23-4)8-13(11)14/h5-6,8-10,19H,7H2,1-4H3,(H,20,21,22).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide has a molecular weight of 343.45 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 78872729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).