1-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylurea

C19H24N4O2S — CID 43996948

IUPAC1-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylurea
SMILESCCC1CCCCN1C(=O)Cc1csc(NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C19H24N4O2S/c1-2-16-10-6-7-11-23(16)17(24)12-15-13-26-19(21-15)22-18(25)20-14-8-4-3-5-9-14/h3-5,8-9,13,16H,2,6-7,10-12H2,1H3,(H2,20,21,22,25)
InChIKeyMOFKTUXNFSZDSS-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.12
Rot. Bonds5

About 1-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylurea

1-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylurea (PubChem CID 43996948) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylurea
PubChem CID43996948
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name1-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylurea
SMILESCCC1CCCCN1C(=O)Cc1csc(NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C19H24N4O2S/c1-2-16-10-6-7-11-23(16)17(24)12-15-13-26-19(21-15)22-18(25)20-14-8-4-3-5-9-14/h3-5,8-9,13,16H,2,6-7,10-12H2,1H3,(H2,20,21,22,25)
InChIKeyMOFKTUXNFSZDSS-UHFFFAOYSA-N
XLogP4.12
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 44922318
methyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 43996922
1-[[1-[2-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]methyl]-3-phenylurea
CID 155968935
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide
CID 18567678
methyl 1-[2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 41158688
1-(4-fluorophenyl)-3-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 44922369
N-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453362
3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxo-N-phenylpropanamide
CID 108966622
N-cyclohexyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453366
ethyl (3R)-1-[2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylate
CID 41211536
1-(2-ethylpiperidin-1-yl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfonyl]ethanone
CID 46458677

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylurea?
The IUPAC name of 1-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylurea (CID 43996948) is 1-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylurea?
The canonical SMILES for 1-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylurea is CCC1CCCCN1C(=O)Cc1csc(NC(=O)Nc2ccccc2)n1.
What is the InChIKey of 1-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylurea?
The InChIKey is MOFKTUXNFSZDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-2-16-10-6-7-11-23(16)17(24)12-15-13-26-19(21-15)22-18(25)20-14-8-4-3-5-9-14/h3-5,8-9,13,16H,2,6-7,10-12H2,1H3,(H2,20,21,22,25).
What are the key properties of 1-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylurea?
1-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylurea has a molecular weight of 372.49 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylurea is sourced from PubChem (CID 43996948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).