methyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate

C19H22N4O4S — CID 43996922

IUPACmethyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)CC1
InChIInChI=1S/C19H22N4O4S/c1-27-17(25)13-7-9-23(10-8-13)16(24)11-15-12-28-19(21-15)22-18(26)20-14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3,(H2,20,21,22,26)
InChIKeyUOGOJCGTNUEKMH-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.74
Rot. Bonds5

About methyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate

methyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate (PubChem CID 43996922) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is methyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
PubChem CID43996922
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Namemethyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)CC1
InChIInChI=1S/C19H22N4O4S/c1-27-17(25)13-7-9-23(10-8-13)16(24)11-15-12-28-19(21-15)22-18(26)20-14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3,(H2,20,21,22,26)
InChIKeyUOGOJCGTNUEKMH-UHFFFAOYSA-N
XLogP2.74
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 41158688
methyl 1-[2-(phenylcarbamoylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 16948133
1-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylurea
CID 43996948
1-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 41211525
methyl 1-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 82547502
N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228041
methyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 110450716
1-(4-fluorophenyl)-3-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 44922369
ethyl (3R)-1-[2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylate
CID 41211536
1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea
CID 41158642
N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide
CID 41483133
1-[2-[2-(cyclopropanecarbonylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 41228231

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate (CID 43996922) is methyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)CC1.
What is the InChIKey of methyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate?
The InChIKey is UOGOJCGTNUEKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-27-17(25)13-7-9-23(10-8-13)16(24)11-15-12-28-19(21-15)22-18(26)20-14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3,(H2,20,21,22,26).
What are the key properties of methyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate?
methyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate has a molecular weight of 402.48 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 43996922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).