1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea

C15H26N4OS — CID 99823672

IUPAC1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea
SMILESCC[C@H](NC(=O)N(C)CC1(N(C)C)CCC1)c1nccs1
InChIInChI=1S/C15H26N4OS/c1-5-12(13-16-9-10-21-13)17-14(20)19(4)11-15(18(2)3)7-6-8-15/h9-10,12H,5-8,11H2,1-4H3,(H,17,20)/t12-/m0/s1
InChIKeyDOAGIXZLBQHBSF-LBPRGKRZSA-N
MW310.47 g/mol
LogP2.72
Rot. Bonds6

About 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea

1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea (PubChem CID 99823672) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea
PubChem CID99823672
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea
SMILESCC[C@H](NC(=O)N(C)CC1(N(C)C)CCC1)c1nccs1
InChIInChI=1S/C15H26N4OS/c1-5-12(13-16-9-10-21-13)17-14(20)19(4)11-15(18(2)3)7-6-8-15/h9-10,12H,5-8,11H2,1-4H3,(H,17,20)/t12-/m0/s1
InChIKeyDOAGIXZLBQHBSF-LBPRGKRZSA-N
XLogP2.72
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea (CID 99823672) is 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea is CC[C@H](NC(=O)N(C)CC1(N(C)C)CCC1)c1nccs1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea?
The InChIKey is DOAGIXZLBQHBSF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-5-12(13-16-9-10-21-13)17-14(20)19(4)11-15(18(2)3)7-6-8-15/h9-10,12H,5-8,11H2,1-4H3,(H,17,20)/t12-/m0/s1.
What are the key properties of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea?
1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea has a molecular weight of 310.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 99823672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).