[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea

C18H22N4O2S — CID 164691667

IUPAC[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea
SMILESCc1nc(C2(c3ccccc3)CCN(C(=O)CNC(N)=O)CC2)cs1
InChIInChI=1S/C18H22N4O2S/c1-13-21-15(12-25-13)18(14-5-3-2-4-6-14)7-9-22(10-8-18)16(23)11-20-17(19)24/h2-6,12H,7-11H2,1H3,(H3,19,20,24)
InChIKeyBGRCMBFMVMDFGG-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.03
Rot. Bonds4

About [2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea

[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea (PubChem CID 164691667) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is [2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea
PubChem CID164691667
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea
SMILESCc1nc(C2(c3ccccc3)CCN(C(=O)CNC(N)=O)CC2)cs1
InChIInChI=1S/C18H22N4O2S/c1-13-21-15(12-25-13)18(14-5-3-2-4-6-14)7-9-22(10-8-18)16(23)11-20-17(19)24/h2-6,12H,7-11H2,1H3,(H3,19,20,24)
InChIKeyBGRCMBFMVMDFGG-UHFFFAOYSA-N
XLogP2.03
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide
CID 165420028
3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 165426020
1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 165419363
[2-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]urea
CID 165422883
(2S)-2,6-diamino-1-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]hexan-1-one;dihydrochloride
CID 166600286
[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone
CID 165424336
(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 165425692
4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzonitrile
CID 165421639
2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 165418820
[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone
CID 165419233
(4S)-4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 165421830
[(1S,3S,4S)-4-amino-3-hydroxycyclohexyl]-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone;hydrochloride
CID 166600011

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea (CID 164691667) is [2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea is Cc1nc(C2(c3ccccc3)CCN(C(=O)CNC(N)=O)CC2)cs1.
What is the InChIKey of [2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea?
The InChIKey is BGRCMBFMVMDFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-13-21-15(12-25-13)18(14-5-3-2-4-6-14)7-9-22(10-8-18)16(23)11-20-17(19)24/h2-6,12H,7-11H2,1H3,(H3,19,20,24).
What are the key properties of [2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea?
[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea has a molecular weight of 358.47 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 164691667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).