1-(5-ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea

C12H20N4OS — CID 71998287

IUPAC1-(5-ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea
SMILESCCc1cnc(NC(=O)NC2CCN(C)CC2)s1
InChIInChI=1S/C12H20N4OS/c1-3-10-8-13-12(18-10)15-11(17)14-9-4-6-16(2)7-5-9/h8-9H,3-7H2,1-2H3,(H2,13,14,15,17)
InChIKeyPMSODKHAKOTQHK-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.92
Rot. Bonds3

About 1-(5-ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea

1-(5-ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea (PubChem CID 71998287) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 1-(5-ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(5-ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea
PubChem CID71998287
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name1-(5-ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea
SMILESCCc1cnc(NC(=O)NC2CCN(C)CC2)s1
InChIInChI=1S/C12H20N4OS/c1-3-10-8-13-12(18-10)15-11(17)14-9-4-6-16(2)7-5-9/h8-9H,3-7H2,1-2H3,(H2,13,14,15,17)
InChIKeyPMSODKHAKOTQHK-UHFFFAOYSA-N
XLogP1.92
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(1-piperidinylmethyl)-1,3-thiazol-2-yl]acetamide
CID 314318
N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide;hydrobromide
CID 44593265
1-(1-Cyclopentylpiperidin-4-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea
CID 71862982
N-(5-methyl-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)piperidine-1-carboxamide
CID 71916802
1-(1-Cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea
CID 71978932
1-Cyclohexyl-3-(5-methylthiazol-2-yl)urea
CID 16729615
N-cyclohexyl-5-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine
CID 12259645
1-[2-(Dimethylamino)ethyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
CID 75500154
(2S)-2-ethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-3-oxopiperazine-1-carboxamide
CID 97226995
1-[1-(2-Amino-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-5,5-difluoro-1,3-diazinan-2-one
CID 172594745
N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide
CID 42604368
N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 42604370

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-(5-ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea (CID 71998287) is 1-(5-ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(5-ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-(5-ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea is CCc1cnc(NC(=O)NC2CCN(C)CC2)s1.
What is the InChIKey of 1-(5-ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is PMSODKHAKOTQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-10-8-13-12(18-10)15-11(17)14-9-4-6-16(2)7-5-9/h8-9H,3-7H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 1-(5-ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea?
1-(5-ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 268.39 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 71998287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).