(2S)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(1,2,4-triazol-1-yl)propanamide

C17H25N5OS — CID 94042765

IUPAC(2S)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC1CCN([C@@H](CNC(=O)[C@H](C)n2cncn2)c2cccs2)CC1
InChIInChI=1S/C17H25N5OS/c1-13-5-7-21(8-6-13)15(16-4-3-9-24-16)10-19-17(23)14(2)22-12-18-11-20-22/h3-4,9,11-15H,5-8,10H2,1-2H3,(H,19,23)/t14-,15-/m0/s1
InChIKeySHZQQVBWBYWMHQ-GJZGRUSLSA-N
MW347.49 g/mol
LogP2.49
Rot. Bonds6

About (2S)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(1,2,4-triazol-1-yl)propanamide

(2S)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 94042765) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is (2S)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID94042765
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name(2S)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC1CCN([C@@H](CNC(=O)[C@H](C)n2cncn2)c2cccs2)CC1
InChIInChI=1S/C17H25N5OS/c1-13-5-7-21(8-6-13)15(16-4-3-9-24-16)10-19-17(23)14(2)22-12-18-11-20-22/h3-4,9,11-15H,5-8,10H2,1-2H3,(H,19,23)/t14-,15-/m0/s1
InChIKeySHZQQVBWBYWMHQ-GJZGRUSLSA-N
XLogP2.49
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide
CID 119830777
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 47041210
2-methyl-N-[2-[[N'-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamimidoyl]amino]ethyl]propanamide
CID 111323370
2-chloro-N-[1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]benzamide
CID 55337540
(2R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-pyrazol-1-ylpropanamide
CID 94036104
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 43006358
1-methyl-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-6-oxopyridazine-3-carboxamide
CID 34942270
4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830784
2-(2-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 43006350
4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35577491
1,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrole-2-carboxamide
CID 55527298

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 94042765) is (2S)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(1,2,4-triazol-1-yl)propanamide is CC1CCN([C@@H](CNC(=O)[C@H](C)n2cncn2)c2cccs2)CC1.
What is the InChIKey of (2S)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is SHZQQVBWBYWMHQ-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-13-5-7-21(8-6-13)15(16-4-3-9-24-16)10-19-17(23)14(2)22-12-18-11-20-22/h3-4,9,11-15H,5-8,10H2,1-2H3,(H,19,23)/t14-,15-/m0/s1.
What are the key properties of (2S)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(1,2,4-triazol-1-yl)propanamide?
(2S)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 347.49 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 94042765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).