2-[1-(1H-indol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole

C17H19N3S — CID 155986420

IUPAC2-[1-(1H-indol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole
SMILESc1cc(CN2CCCC(c3nccs3)C2)c2cc[nH]c2c1
InChIInChI=1S/C17H19N3S/c1-3-13(15-6-7-18-16(15)5-1)11-20-9-2-4-14(12-20)17-19-8-10-21-17/h1,3,5-8,10,14,18H,2,4,9,11-12H2
InChIKeyUSBADJBVSBWHOV-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.00
Rot. Bonds3

About 2-[1-(1H-indol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole

2-[1-(1H-indol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole (PubChem CID 155986420) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 2-[1-(1H-indol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(1H-indol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole
PubChem CID155986420
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name2-[1-(1H-indol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole
SMILESc1cc(CN2CCCC(c3nccs3)C2)c2cc[nH]c2c1
InChIInChI=1S/C17H19N3S/c1-3-13(15-6-7-18-16(15)5-1)11-20-9-2-4-14(12-20)17-19-8-10-21-17/h1,3,5-8,10,14,18H,2,4,9,11-12H2
InChIKeyUSBADJBVSBWHOV-UHFFFAOYSA-N
XLogP4.00
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole
CID 129374249
3-[[(3S)-1-(1H-indol-4-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 129490933
[4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110008771
4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 124940343
3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 166211745
4-[[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]methyl]-1H-indole
CID 97153671
2-methyl-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-ol
CID 110932618
4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride
CID 134690852
2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole
CID 124956944
2-methoxy-5-nitro-4-[[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]phenol
CID 97158501
3-[4-(1H-indol-4-ylmethyl)morpholin-2-yl]-N-methylpyrazin-2-amine
CID 110113025
3-(1H-indol-4-ylmethylamino)-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one
CID 154800759

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-indol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(1H-indol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole (CID 155986420) is 2-[1-(1H-indol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(1H-indol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(1H-indol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole is c1cc(CN2CCCC(c3nccs3)C2)c2cc[nH]c2c1.
What is the InChIKey of 2-[1-(1H-indol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole?
The InChIKey is USBADJBVSBWHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-3-13(15-6-7-18-16(15)5-1)11-20-9-2-4-14(12-20)17-19-8-10-21-17/h1,3,5-8,10,14,18H,2,4,9,11-12H2.
What are the key properties of 2-[1-(1H-indol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole?
2-[1-(1H-indol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole has a molecular weight of 297.43 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-indol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 155986420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).