methyl 1-[2-(phenylcarbamoylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate

C18H20N4O4S — CID 16948133

IUPACmethyl 1-[2-(phenylcarbamoylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2csc(NC(=O)Nc3ccccc3)n2)CC1
InChIInChI=1S/C18H20N4O4S/c1-26-16(24)12-7-9-22(10-8-12)15(23)14-11-27-18(20-14)21-17(25)19-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H2,19,20,21,25)
InChIKeySFQHOANAXDAKGV-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.81
Rot. Bonds4

About methyl 1-[2-(phenylcarbamoylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate

methyl 1-[2-(phenylcarbamoylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate (PubChem CID 16948133) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is methyl 1-[2-(phenylcarbamoylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(phenylcarbamoylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
PubChem CID16948133
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Namemethyl 1-[2-(phenylcarbamoylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2csc(NC(=O)Nc3ccccc3)n2)CC1
InChIInChI=1S/C18H20N4O4S/c1-26-16(24)12-7-9-22(10-8-12)15(23)14-11-27-18(20-14)21-17(25)19-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H2,19,20,21,25)
InChIKeySFQHOANAXDAKGV-UHFFFAOYSA-N
XLogP2.81
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 43996922
methyl 1-(2-acetamido-1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 47340287
1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-methylphenyl)urea
CID 16948435
methyl 1-[2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 41158688
1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea
CID 16948749
N-(4-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948201
ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 3974706
N-(2-methylpropyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948150
N-(2-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948199
ethyl 1-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 90509948
N-(4-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948187
N-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948151

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(phenylcarbamoylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(phenylcarbamoylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate (CID 16948133) is methyl 1-[2-(phenylcarbamoylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(phenylcarbamoylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(phenylcarbamoylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2csc(NC(=O)Nc3ccccc3)n2)CC1.
What is the InChIKey of methyl 1-[2-(phenylcarbamoylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate?
The InChIKey is SFQHOANAXDAKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-26-16(24)12-7-9-22(10-8-12)15(23)14-11-27-18(20-14)21-17(25)19-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H2,19,20,21,25).
What are the key properties of methyl 1-[2-(phenylcarbamoylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate?
methyl 1-[2-(phenylcarbamoylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate has a molecular weight of 388.45 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(phenylcarbamoylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 16948133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).