2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-1,3-thiazol-4-ol

C11H16N2OS — CID 90793029

IUPAC2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-1,3-thiazol-4-ol
SMILESCc1sc(N[C@H]2CC3CCC2C3)nc1O
InChIInChI=1S/C11H16N2OS/c1-6-10(14)13-11(15-6)12-9-5-7-2-3-8(9)4-7/h7-9,14H,2-5H2,1H3,(H,12,13)/t7?,8?,9-/m0/s1
InChIKeyQZFYITJUNHCFOR-HACHORDNSA-N
MW224.33 g/mol
LogP2.76
Rot. Bonds2

About 2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-1,3-thiazol-4-ol

2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-1,3-thiazol-4-ol (PubChem CID 90793029) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-1,3-thiazol-4-ol
PubChem CID90793029
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-1,3-thiazol-4-ol
SMILESCc1sc(N[C@H]2CC3CCC2C3)nc1O
InChIInChI=1S/C11H16N2OS/c1-6-10(14)13-11(15-6)12-9-5-7-2-3-8(9)4-7/h7-9,14H,2-5H2,1H3,(H,12,13)/t7?,8?,9-/m0/s1
InChIKeyQZFYITJUNHCFOR-HACHORDNSA-N
XLogP2.76
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-1,3-thiazol-4-ol with MolForge

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Related Compounds

ethyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526948
2-(2-bicyclo[2.2.1]heptanylamino)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-4-ol
CID 90780403
methyl 2-(2-bicyclo[2.2.1]heptanylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916372
N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-1,3-thiazol-2-amine
CID 131209075
N-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647773
N-(2-bicyclo[2.2.1]heptanyl)-6-bromo-1,3-benzothiazol-2-amine
CID 79528609
N-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448595
2-(2-bicyclo[2.2.1]heptanylamino)pyrido[3,2-e][1,3]thiazin-4-one
CID 23287602
(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526666
N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63448629
(5S)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-5-propan-2-yl-4H-1,3-thiazol-4-ol
CID 163871827
4-amino-N-(2-bicyclo[2.2.1]heptanyl)-2-(cyclobutylamino)-1,3-thiazole-5-carboxamide
CID 116666925

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-1,3-thiazol-4-ol?
The IUPAC name of 2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-1,3-thiazol-4-ol (CID 90793029) is 2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-1,3-thiazol-4-ol?
The canonical SMILES for 2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-1,3-thiazol-4-ol is Cc1sc(N[C@H]2CC3CCC2C3)nc1O.
What is the InChIKey of 2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-1,3-thiazol-4-ol?
The InChIKey is QZFYITJUNHCFOR-HACHORDNSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-6-10(14)13-11(15-6)12-9-5-7-2-3-8(9)4-7/h7-9,14H,2-5H2,1H3,(H,12,13)/t7?,8?,9-/m0/s1.
What are the key properties of 2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-1,3-thiazol-4-ol?
2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-1,3-thiazol-4-ol has a molecular weight of 224.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-1,3-thiazol-4-ol is sourced from PubChem (CID 90793029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).