N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide

C19H20N4OS — CID 90621816

IUPACN-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide
SMILESO=C(NCC1CCCN(c2nccs2)C1)c1ccc2ccccc2n1
InChIInChI=1S/C19H20N4OS/c24-18(17-8-7-15-5-1-2-6-16(15)22-17)21-12-14-4-3-10-23(13-14)19-20-9-11-25-19/h1-2,5-9,11,14H,3-4,10,12-13H2,(H,21,24)
InChIKeyOKDCTJHGNICKAW-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.34
Rot. Bonds4

About N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide

N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide (PubChem CID 90621816) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide
PubChem CID90621816
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide
SMILESO=C(NCC1CCCN(c2nccs2)C1)c1ccc2ccccc2n1
InChIInChI=1S/C19H20N4OS/c24-18(17-8-7-15-5-1-2-6-16(15)22-17)21-12-14-4-3-10-23(13-14)19-20-9-11-25-19/h1-2,5-9,11,14H,3-4,10,12-13H2,(H,21,24)
InChIKeyOKDCTJHGNICKAW-UHFFFAOYSA-N
XLogP3.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide
CID 99875760
N-(cyclohexylmethyl)quinoline-2-carboxamide
CID 2496984
2-(4-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875704
4-(4-fluorophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 99875755
4-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 99875754
2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621618
3-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 99875791
3-(2-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 99875799
2-(6-oxopyridazin-1-yl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875789
2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621607
N-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide
CID 106123559
3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide
CID 99875725

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide (CID 90621816) is N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide is O=C(NCC1CCCN(c2nccs2)C1)c1ccc2ccccc2n1.
What is the InChIKey of N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide?
The InChIKey is OKDCTJHGNICKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c24-18(17-8-7-15-5-1-2-6-16(15)22-17)21-12-14-4-3-10-23(13-14)19-20-9-11-25-19/h1-2,5-9,11,14H,3-4,10,12-13H2,(H,21,24).
What are the key properties of N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide?
N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 90621816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).