1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea

C12H20N4OS — CID 22559646

IUPAC1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCCN1CCCC1CNC(=O)Nc1ncc(C)s1
InChIInChI=1S/C12H20N4OS/c1-3-16-6-4-5-10(16)8-13-11(17)15-12-14-7-9(2)18-12/h7,10H,3-6,8H2,1-2H3,(H2,13,14,15,17)
InChIKeyWKUCJDNDYJHBFW-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.06
Rot. Bonds4

About 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea

1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 22559646) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID22559646
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCCN1CCCC1CNC(=O)Nc1ncc(C)s1
InChIInChI=1S/C12H20N4OS/c1-3-16-6-4-5-10(16)8-13-11(17)15-12-14-7-9(2)18-12/h7,10H,3-6,8H2,1-2H3,(H2,13,14,15,17)
InChIKeyWKUCJDNDYJHBFW-UHFFFAOYSA-N
XLogP2.06
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 47197229
N-(5-methyl-1,3-thiazol-2-yl)azepane-1-carboxamide
CID 47197239
1-(1-Cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea
CID 71978932
1-(5-Ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea
CID 71998287
1-Cyclohexyl-3-(5-methylthiazol-2-yl)urea
CID 16729615
1-[1-(1,3-Thiazol-5-ylmethyl)piperidin-4-yl]imidazolidin-2-one
CID 134789042
N-(5-methyl-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 52897212
N-(5-methyl-1,3-thiazol-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71986290
1-[2-(Dimethylamino)ethyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
CID 75500154
1-(1-Cyclopentylpyrrolidin-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75521290
(4S)-N-(5-methyl-1,3-thiazol-2-yl)-2-oxoimidazolidine-4-carboxamide
CID 164629686
1-Cyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea
CID 57883537

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 22559646) is 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea is CCN1CCCC1CNC(=O)Nc1ncc(C)s1.
What is the InChIKey of 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is WKUCJDNDYJHBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-16-6-4-5-10(16)8-13-11(17)15-12-14-7-9(2)18-12/h7,10H,3-6,8H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 268.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 22559646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).