1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea

C15H24N4O2S — CID 138010418

IUPAC1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea
SMILESCN(C)Cc1csc(CNC(=O)NC2CC23CCOCC3)n1
InChIInChI=1S/C15H24N4O2S/c1-19(2)9-11-10-22-13(17-11)8-16-14(20)18-12-7-15(12)3-5-21-6-4-15/h10,12H,3-9H2,1-2H3,(H2,16,18,20)
InChIKeyAUVCVSUPRBFTIB-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.57
Rot. Bonds5

About 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea

1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea (PubChem CID 138010418) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea.

Molecular Properties

Compound Name1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea
PubChem CID138010418
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea
SMILESCN(C)Cc1csc(CNC(=O)NC2CC23CCOCC3)n1
InChIInChI=1S/C15H24N4O2S/c1-19(2)9-11-10-22-13(17-11)8-16-14(20)18-12-7-15(12)3-5-21-6-4-15/h10,12H,3-9H2,1-2H3,(H2,16,18,20)
InChIKeyAUVCVSUPRBFTIB-UHFFFAOYSA-N
XLogP1.57
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea with MolForge

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Related Compounds

1-[[4-(dimethylamino)-2-pyridinyl]methyl]-3-[(2S)-6-oxaspiro[2.5]octan-2-yl]urea
CID 164639997
1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(3-methyl-1,2-oxazol-4-yl)urea
CID 138025611
1-(5-chloro-4-methyl-3-pyridinyl)-3-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]urea
CID 146109503
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-spiro[2.5]octan-2-ylurea
CID 138010208
1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
CID 166256178
1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylmethanamine
CID 122628208
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide
CID 110359488
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine
CID 62433830
4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]oxane-4-carboxylic acid
CID 115293009
1-(7-oxaspiro[3.5]nonan-3-yl)-3-(thiophen-2-ylmethyl)urea
CID 122276524
4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol
CID 114952911
methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359921

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea?
The IUPAC name of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea (CID 138010418) is 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea.
What is the SMILES notation for 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea?
The canonical SMILES for 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea is CN(C)Cc1csc(CNC(=O)NC2CC23CCOCC3)n1.
What is the InChIKey of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea?
The InChIKey is AUVCVSUPRBFTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-19(2)9-11-10-22-13(17-11)8-16-14(20)18-12-7-15(12)3-5-21-6-4-15/h10,12H,3-9H2,1-2H3,(H2,16,18,20).
What are the key properties of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea?
1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea has a molecular weight of 324.45 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea is sourced from PubChem (CID 138010418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).