N-[4-methyl-1-[[2-(1-methylindol-5-yl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide

C21H26N4OS — CID 134809023

IUPACN-[4-methyl-1-[[2-(1-methylindol-5-yl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1(C)CCN(Cc2cnc(-c3ccc4c(ccn4C)c3)s2)CC1
InChIInChI=1S/C21H26N4OS/c1-15(26)23-21(2)7-10-25(11-8-21)14-18-13-22-20(27-18)17-4-5-19-16(12-17)6-9-24(19)3/h4-6,9,12-13H,7-8,10-11,14H2,1-3H3,(H,23,26)
InChIKeyFVPPGXLVWFPVOT-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.79
Rot. Bonds4

About N-[4-methyl-1-[[2-(1-methylindol-5-yl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide

N-[4-methyl-1-[[2-(1-methylindol-5-yl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 134809023) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[4-methyl-1-[[2-(1-methylindol-5-yl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-1-[[2-(1-methylindol-5-yl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide
PubChem CID134809023
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC NameN-[4-methyl-1-[[2-(1-methylindol-5-yl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1(C)CCN(Cc2cnc(-c3ccc4c(ccn4C)c3)s2)CC1
InChIInChI=1S/C21H26N4OS/c1-15(26)23-21(2)7-10-25(11-8-21)14-18-13-22-20(27-18)17-4-5-19-16(12-17)6-9-24(19)3/h4-6,9,12-13H,7-8,10-11,14H2,1-3H3,(H,23,26)
InChIKeyFVPPGXLVWFPVOT-UHFFFAOYSA-N
XLogP3.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 46275360
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1-Methyl-3-(2-thiazolyl)-1H-indole
CID 11275932
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-acetamide
CID 884114
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-butyramide
CID 6487931
(R)-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-phenylthiazole
CID 11632711
2-(1H-indol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095485
6-Fluoro-2-(1-methylindol-5-yl)-1,3-benzothiazole
CID 92131165
1-[1-Ethyl-5-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]indol-3-yl]-3-[(4-fluorophenyl)methyl]urea
CID 152546282
4-(2-methyl-1H-indol-3-yl)-2-pyridin-3-yl-1,3-thiazole
CID 711832
2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)-N-(thiazol-2-yl)acetamide
CID 4111785
2-[4-(9,15-Diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl)butyl]-1,3-thiazole
CID 15149405

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-[[2-(1-methylindol-5-yl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[4-methyl-1-[[2-(1-methylindol-5-yl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide (CID 134809023) is N-[4-methyl-1-[[2-(1-methylindol-5-yl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[4-methyl-1-[[2-(1-methylindol-5-yl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[4-methyl-1-[[2-(1-methylindol-5-yl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1(C)CCN(Cc2cnc(-c3ccc4c(ccn4C)c3)s2)CC1.
What is the InChIKey of N-[4-methyl-1-[[2-(1-methylindol-5-yl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is FVPPGXLVWFPVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-15(26)23-21(2)7-10-25(11-8-21)14-18-13-22-20(27-18)17-4-5-19-16(12-17)6-9-24(19)3/h4-6,9,12-13H,7-8,10-11,14H2,1-3H3,(H,23,26).
What are the key properties of N-[4-methyl-1-[[2-(1-methylindol-5-yl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide?
N-[4-methyl-1-[[2-(1-methylindol-5-yl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 382.53 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-[[2-(1-methylindol-5-yl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 134809023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).