(2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid

C19H26N4O2S — CID 97204051

IUPAC(2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid
SMILESCc1ncsc1CCN(C)[C@H](C(=O)O)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C19H26N4O2S/c1-14-16(26-13-21-14)8-11-22(2)18(19(24)25)15-6-7-17(20-12-15)23-9-4-3-5-10-23/h6-7,12-13,18H,3-5,8-11H2,1-2H3,(H,24,25)/t18-/m0/s1
InChIKeyIYDZRXTUEHQMCL-SFHVURJKSA-N
MW374.51 g/mol
LogP3.14
Rot. Bonds7

About (2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid

(2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid (PubChem CID 97204051) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is (2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid
PubChem CID97204051
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name(2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid
SMILESCc1ncsc1CCN(C)[C@H](C(=O)O)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C19H26N4O2S/c1-14-16(26-13-21-14)8-11-22(2)18(19(24)25)15-6-7-17(20-12-15)23-9-4-3-5-10-23/h6-7,12-13,18H,3-5,8-11H2,1-2H3,(H,24,25)/t18-/m0/s1
InChIKeyIYDZRXTUEHQMCL-SFHVURJKSA-N
XLogP3.14
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid with MolForge

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Related Compounds

2-[methyl(pyrazin-2-ylmethyl)amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid
CID 72858935
(2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(2-methylsulfanylphenyl)acetic acid
CID 97208969
2-(6-piperidin-1-yl-3-pyridinyl)-2-thiomorpholin-4-ylacetic acid
CID 72931809
(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 79022376
2-amino-1-(6-piperidin-1-yl-3-pyridinyl)ethanol
CID 83890136
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl-propan-2-ylamino]acetic acid
CID 62071366
3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide
CID 92671563
2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119358653
6-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 69276901
6-(azepan-1-yl)-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 112837376

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid?
The IUPAC name of (2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid (CID 97204051) is (2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid.
What is the SMILES notation for (2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid?
The canonical SMILES for (2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid is Cc1ncsc1CCN(C)[C@H](C(=O)O)c1ccc(N2CCCCC2)nc1.
What is the InChIKey of (2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid?
The InChIKey is IYDZRXTUEHQMCL-SFHVURJKSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-14-16(26-13-21-14)8-11-22(2)18(19(24)25)15-6-7-17(20-12-15)23-9-4-3-5-10-23/h6-7,12-13,18H,3-5,8-11H2,1-2H3,(H,24,25)/t18-/m0/s1.
What are the key properties of (2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid?
(2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid has a molecular weight of 374.51 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid is sourced from PubChem (CID 97204051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).