N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide

C18H21N3OS — CID 166629500

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)Nc2nc(C(C)(C)C)cs2)c2ccccc21
InChIInChI=1S/C18H21N3OS/c1-18(2,3)15-11-23-17(19-15)20-16(22)9-12-10-21(4)14-8-6-5-7-13(12)14/h5-8,10-11H,9H2,1-4H3,(H,19,20,22)
InChIKeyHRDYVTYERSASLS-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.11
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide (PubChem CID 166629500) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide
PubChem CID166629500
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)Nc2nc(C(C)(C)C)cs2)c2ccccc21
InChIInChI=1S/C18H21N3OS/c1-18(2,3)15-11-23-17(19-15)20-16(22)9-12-10-21(4)14-8-6-5-7-13(12)14/h5-8,10-11H,9H2,1-4H3,(H,19,20,22)
InChIKeyHRDYVTYERSASLS-UHFFFAOYSA-N
XLogP4.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzothiophen-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 142538886
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(7-methyl-1-benzothiophen-3-yl)acetamide
CID 166633694
2-(1-benzoyl-5-chloroindol-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 166631591
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5-chloro-1-(pyrimidin-2-ylmethyl)indol-3-yl]acetamide
CID 166635411
N-(5-cyano-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide
CID 90603505
3-(benzotriazol-1-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 855784
2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220
N-(2-ethylphenyl)-2-(1-methylindol-3-yl)acetamide
CID 4523543
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(4-oxo-3H-phthalazin-1-yl)methylamino]acetamide
CID 50954634
2-(2-aminophenyl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 8553866
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24509256

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide (CID 166629500) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide is Cn1cc(CC(=O)Nc2nc(C(C)(C)C)cs2)c2ccccc21.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide?
The InChIKey is HRDYVTYERSASLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-18(2,3)15-11-23-17(19-15)20-16(22)9-12-10-21(4)14-8-6-5-7-13(12)14/h5-8,10-11H,9H2,1-4H3,(H,19,20,22).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide has a molecular weight of 327.45 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 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-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 166629500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).