3-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclobutan-1-ol

C13H23N3OS — CID 79773867

IUPAC3-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclobutan-1-ol
SMILESCCCNc1ncc(CN(C)CC2CC(O)C2)s1
InChIInChI=1S/C13H23N3OS/c1-3-4-14-13-15-7-12(18-13)9-16(2)8-10-5-11(17)6-10/h7,10-11,17H,3-6,8-9H2,1-2H3,(H,14,15)
InChIKeyUUBTXXKOARYPEI-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.17
Rot. Bonds7

About 3-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclobutan-1-ol

3-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclobutan-1-ol (PubChem CID 79773867) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclobutan-1-ol
PubChem CID79773867
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name3-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclobutan-1-ol
SMILESCCCNc1ncc(CN(C)CC2CC(O)C2)s1
InChIInChI=1S/C13H23N3OS/c1-3-4-14-13-15-7-12(18-13)9-16(2)8-10-5-11(17)6-10/h7,10-11,17H,3-6,8-9H2,1-2H3,(H,14,15)
InChIKeyUUBTXXKOARYPEI-UHFFFAOYSA-N
XLogP2.17
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

1-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol
CID 114953196
5-[[methyl(2-methylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79771643
2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetamide
CID 79771545
N,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine
CID 79772531
5-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 107401418
5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774342
2-methyl-2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]propan-1-ol
CID 113476329
5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 114237921
2-[cyclopropyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol
CID 79772514
5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 81074664
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
5-[[methyl(3-methylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79771449

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclobutan-1-ol (CID 79773867) is 3-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclobutan-1-ol is CCCNc1ncc(CN(C)CC2CC(O)C2)s1.
What is the InChIKey of 3-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclobutan-1-ol?
The InChIKey is UUBTXXKOARYPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-4-14-13-15-7-12(18-13)9-16(2)8-10-5-11(17)6-10/h7,10-11,17H,3-6,8-9H2,1-2H3,(H,14,15).
What are the key properties of 3-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclobutan-1-ol?
3-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclobutan-1-ol has a molecular weight of 269.41 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 79773867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).