2-methyl-N-[4-[2-[[(2S)-2-(4-methylpiperidin-1-yl)propyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide

C18H30N4O2S — CID 52516283

IUPAC2-methyl-N-[4-[2-[[(2S)-2-(4-methylpiperidin-1-yl)propyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC1CCN([C@@H](C)CNC(=O)Cc2csc(NC(=O)C(C)C)n2)CC1
InChIInChI=1S/C18H30N4O2S/c1-12(2)17(24)21-18-20-15(11-25-18)9-16(23)19-10-14(4)22-7-5-13(3)6-8-22/h11-14H,5-10H2,1-4H3,(H,19,23)(H,20,21,24)/t14-/m0/s1
InChIKeyXLEYYPPKAFNSLX-AWEZNQCLSA-N
MW366.53 g/mol
LogP2.52
Rot. Bonds7

About 2-methyl-N-[4-[2-[[(2S)-2-(4-methylpiperidin-1-yl)propyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide

2-methyl-N-[4-[2-[[(2S)-2-(4-methylpiperidin-1-yl)propyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 52516283) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-[[(2S)-2-(4-methylpiperidin-1-yl)propyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-[[(2S)-2-(4-methylpiperidin-1-yl)propyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
PubChem CID52516283
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC Name2-methyl-N-[4-[2-[[(2S)-2-(4-methylpiperidin-1-yl)propyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC1CCN([C@@H](C)CNC(=O)Cc2csc(NC(=O)C(C)C)n2)CC1
InChIInChI=1S/C18H30N4O2S/c1-12(2)17(24)21-18-20-15(11-25-18)9-16(23)19-10-14(4)22-7-5-13(3)6-8-22/h11-14H,5-10H2,1-4H3,(H,19,23)(H,20,21,24)/t14-/m0/s1
InChIKeyXLEYYPPKAFNSLX-AWEZNQCLSA-N
XLogP2.52
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110312824
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 94812709
N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 119627196
N-[(2R)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 97445309
2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119866579
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17496137
2-methyl-N-[4-[2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 55798546
N-[4-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 60560040
2-methyl-N-[4-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119461261
N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55827901
2-methyl-N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide
CID 87002042
2-methyl-N-[4-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 119556347

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-[[(2S)-2-(4-methylpiperidin-1-yl)propyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-[2-[[(2S)-2-(4-methylpiperidin-1-yl)propyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide (CID 52516283) is 2-methyl-N-[4-[2-[[(2S)-2-(4-methylpiperidin-1-yl)propyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[2-[[(2S)-2-(4-methylpiperidin-1-yl)propyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[2-[[(2S)-2-(4-methylpiperidin-1-yl)propyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide is CC1CCN([C@@H](C)CNC(=O)Cc2csc(NC(=O)C(C)C)n2)CC1.
What is the InChIKey of 2-methyl-N-[4-[2-[[(2S)-2-(4-methylpiperidin-1-yl)propyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is XLEYYPPKAFNSLX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-12(2)17(24)21-18-20-15(11-25-18)9-16(23)19-10-14(4)22-7-5-13(3)6-8-22/h11-14H,5-10H2,1-4H3,(H,19,23)(H,20,21,24)/t14-/m0/s1.
What are the key properties of 2-methyl-N-[4-[2-[[(2S)-2-(4-methylpiperidin-1-yl)propyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
2-methyl-N-[4-[2-[[(2S)-2-(4-methylpiperidin-1-yl)propyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 366.53 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-[[(2S)-2-(4-methylpiperidin-1-yl)propyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 52516283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).