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

C17H18N4O3S — CID 91823289

IUPACN-methyl-2-[2-[[2-(1-methylindol-4-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetamide
SMILESCNC(=O)Cc1csc(NC(=O)COc2cccc3c2ccn3C)n1
InChIInChI=1S/C17H18N4O3S/c1-18-15(22)8-11-10-25-17(19-11)20-16(23)9-24-14-5-3-4-13-12(14)6-7-21(13)2/h3-7,10H,8-9H2,1-2H3,(H,18,22)(H,19,20,23)
InChIKeyBTRURPMQABJORL-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.94
Rot. Bonds6

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

N-methyl-2-[2-[[2-(1-methylindol-4-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetamide (PubChem CID 91823289) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-methyl-2-[2-[[2-(1-methylindol-4-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[[2-(1-methylindol-4-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetamide
PubChem CID91823289
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-methyl-2-[2-[[2-(1-methylindol-4-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetamide
SMILESCNC(=O)Cc1csc(NC(=O)COc2cccc3c2ccn3C)n1
InChIInChI=1S/C17H18N4O3S/c1-18-15(22)8-11-10-25-17(19-11)20-16(23)9-24-14-5-3-4-13-12(14)6-7-21(13)2/h3-7,10H,8-9H2,1-2H3,(H,18,22)(H,19,20,23)
InChIKeyBTRURPMQABJORL-UHFFFAOYSA-N
XLogP1.94
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-chloro-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide
CID 91822344
2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 91822510
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 108745929
methyl 2-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 38985945
ethyl 2-[2-[[2-(2-propoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 18129539
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-yloxyacetamide
CID 17495173
2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 4038077
N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 108726536
3-(2-methoxyphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide
CID 121084022
tert-butyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 176721040
N-[2-(4-chlorophenoxy)ethyl]-2-(1-methylindol-4-yl)oxyacetamide
CID 110205383
2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17361677

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[[2-(1-methylindol-4-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-methyl-2-[2-[[2-(1-methylindol-4-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetamide (CID 91823289) is N-methyl-2-[2-[[2-(1-methylindol-4-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-methyl-2-[2-[[2-(1-methylindol-4-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-methyl-2-[2-[[2-(1-methylindol-4-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetamide is CNC(=O)Cc1csc(NC(=O)COc2cccc3c2ccn3C)n1.
What is the InChIKey of N-methyl-2-[2-[[2-(1-methylindol-4-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is BTRURPMQABJORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-18-15(22)8-11-10-25-17(19-11)20-16(23)9-24-14-5-3-4-13-12(14)6-7-21(13)2/h3-7,10H,8-9H2,1-2H3,(H,18,22)(H,19,20,23).
What are the key properties of N-methyl-2-[2-[[2-(1-methylindol-4-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetamide?
N-methyl-2-[2-[[2-(1-methylindol-4-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 358.42 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[[2-(1-methylindol-4-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 91823289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).