3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol

C8H12N2OS — CID 66006565

IUPAC3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol
SMILESOC1CC(CNc2nccs2)C1
InChIInChI=1S/C8H12N2OS/c11-7-3-6(4-7)5-10-8-9-1-2-12-8/h1-2,6-7,11H,3-5H2,(H,9,10)
InChIKeyONOBUAYOYCOFFF-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.33
Rot. Bonds3

About 3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol

3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol (PubChem CID 66006565) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol
PubChem CID66006565
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol
SMILESOC1CC(CNc2nccs2)C1
InChIInChI=1S/C8H12N2OS/c11-7-3-6(4-7)5-10-8-9-1-2-12-8/h1-2,6-7,11H,3-5H2,(H,9,10)
InChIKeyONOBUAYOYCOFFF-UHFFFAOYSA-N
XLogP1.33
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine
CID 106123958
N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine
CID 78976841
N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
CID 96996514
2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 130569074
2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 130925805
N-cyclopropyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 62663409
3-[[(3-aminopyrazin-2-yl)amino]methyl]cyclobutan-1-ol
CID 102984602
3-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclobutan-1-ol
CID 66005707
N-[(2,2-difluorocyclopentyl)methyl]-1,3-thiazol-2-amine
CID 131091806
N-[(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methyl]-1,3-thiazol-2-amine
CID 59144373
2-(1,3-thiazol-2-ylamino)ethanethiol
CID 88739405
CID 59694819
CID 59694819

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol (CID 66006565) is 3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol is OC1CC(CNc2nccs2)C1.
What is the InChIKey of 3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol?
The InChIKey is ONOBUAYOYCOFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c11-7-3-6(4-7)5-10-8-9-1-2-12-8/h1-2,6-7,11H,3-5H2,(H,9,10).
What are the key properties of 3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol?
3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol has a molecular weight of 184.26 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 66006565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).