1-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide

C19H25N4O2S+ — CID 8530687

IUPAC1-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide
SMILESCc1ccc(NC(=O)Cc2nc(C[NH+]3CCC(C(N)=O)CC3)cs2)cc1
InChIInChI=1S/C19H24N4O2S/c1-13-2-4-15(5-3-13)21-17(24)10-18-22-16(12-26-18)11-23-8-6-14(7-9-23)19(20)25/h2-5,12,14H,6-11H2,1H3,(H2,20,25)(H,21,24)/p+1
InChIKeyNUXZDRQKHIXRLA-UHFFFAOYSA-O
MW373.50 g/mol
LogP0.91
Rot. Bonds6

About 1-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide

1-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide (PubChem CID 8530687) has the molecular formula C19H25N4O2S+ and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide
PubChem CID8530687
Molecular FormulaC19H25N4O2S+
Molecular Weight373.50 g/mol
Exact Mass373.17
IUPAC Name1-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide
SMILESCc1ccc(NC(=O)Cc2nc(C[NH+]3CCC(C(N)=O)CC3)cs2)cc1
InChIInChI=1S/C19H24N4O2S/c1-13-2-4-15(5-3-13)21-17(24)10-18-22-16(12-26-18)11-23-8-6-14(7-9-23)19(20)25/h2-5,12,14H,6-11H2,1H3,(H2,20,25)(H,21,24)/p+1
InChIKeyNUXZDRQKHIXRLA-UHFFFAOYSA-O
XLogP0.91
TPSA89.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide with MolForge

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Related Compounds

N-(4-methylphenyl)-2-[4-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 9000498
2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 111496477
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 4-(cyclopropanecarbonylamino)benzoate
CID 42984799
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl (1R)-cyclohex-3-ene-1-carboxylate
CID 31166959
trans-[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020526
2-[4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 11940369
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-cyclohexylacetate
CID 42976557
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl (1S,2R,4S)-bicyclo[2.2.1]heptane-2-carboxylate
CID 98682268
2-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 9006638
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl adamantane-2-carboxylate
CID 8519736
2-[4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 40703655
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl (E)-but-2-enoate
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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide (CID 8530687) is 1-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide is Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCC(C(N)=O)CC3)cs2)cc1.
What is the InChIKey of 1-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide?
The InChIKey is NUXZDRQKHIXRLA-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N4O2S/c1-13-2-4-15(5-3-13)21-17(24)10-18-22-16(12-26-18)11-23-8-6-14(7-9-23)19(20)25/h2-5,12,14H,6-11H2,1H3,(H2,20,25)(H,21,24)/p+1.
What are the key properties of 1-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide?
1-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 8530687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).