N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(1-methylindol-3-yl)acetamide

C18H21N3OS — CID 51096623

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(1-methylindol-3-yl)acetamide
SMILESCCc1nc(CN(C)C(=O)Cc2cn(C)c3ccccc23)cs1
InChIInChI=1S/C18H21N3OS/c1-4-17-19-14(12-23-17)11-21(3)18(22)9-13-10-20(2)16-8-6-5-7-15(13)16/h5-8,10,12H,4,9,11H2,1-3H3
InChIKeyCFGUJAKNEDNSCS-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.40
Rot. Bonds5

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(1-methylindol-3-yl)acetamide

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(1-methylindol-3-yl)acetamide (PubChem CID 51096623) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(1-methylindol-3-yl)acetamide
PubChem CID51096623
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(1-methylindol-3-yl)acetamide
SMILESCCc1nc(CN(C)C(=O)Cc2cn(C)c3ccccc23)cs1
InChIInChI=1S/C18H21N3OS/c1-4-17-19-14(12-23-17)11-21(3)18(22)9-13-10-20(2)16-8-6-5-7-15(13)16/h5-8,10,12H,4,9,11H2,1-3H3
InChIKeyCFGUJAKNEDNSCS-UHFFFAOYSA-N
XLogP3.40
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(1-methylindol-3-yl)acetamide (CID 51096623) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(1-methylindol-3-yl)acetamide is CCc1nc(CN(C)C(=O)Cc2cn(C)c3ccccc23)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(1-methylindol-3-yl)acetamide?
The InChIKey is CFGUJAKNEDNSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-4-17-19-14(12-23-17)11-21(3)18(22)9-13-10-20(2)16-8-6-5-7-15(13)16/h5-8,10,12H,4,9,11H2,1-3H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(1-methylindol-3-yl)acetamide?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(1-methylindol-3-yl)acetamide has a molecular weight of 327.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 51096623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).