2-[[(1R,2R,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]amino]-5-propan-2-yl-1,3-thiazol-4-ol

C15H24N2OS — CID 90974911

IUPAC2-[[(1R,2R,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]amino]-5-propan-2-yl-1,3-thiazol-4-ol
SMILESCC(C)c1sc(N[C@@H]2C[C@H]3CC[C@@H]2C3(C)C)nc1O
InChIInChI=1S/C15H24N2OS/c1-8(2)12-13(18)17-14(19-12)16-11-7-9-5-6-10(11)15(9,3)4/h8-11,18H,5-7H2,1-4H3,(H,16,17)/t9-,10+,11-/m1/s1
InChIKeyGFNRNSKUQLUWKO-OUAUKWLOSA-N
MW280.44 g/mol
LogP4.21
Rot. Bonds3

About 2-[[(1R,2R,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]amino]-5-propan-2-yl-1,3-thiazol-4-ol

2-[[(1R,2R,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]amino]-5-propan-2-yl-1,3-thiazol-4-ol (PubChem CID 90974911) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[[(1R,2R,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]amino]-5-propan-2-yl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[[(1R,2R,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]amino]-5-propan-2-yl-1,3-thiazol-4-ol
PubChem CID90974911
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-[[(1R,2R,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]amino]-5-propan-2-yl-1,3-thiazol-4-ol
SMILESCC(C)c1sc(N[C@@H]2C[C@H]3CC[C@@H]2C3(C)C)nc1O
InChIInChI=1S/C15H24N2OS/c1-8(2)12-13(18)17-14(19-12)16-11-7-9-5-6-10(11)15(9,3)4/h8-11,18H,5-7H2,1-4H3,(H,16,17)/t9-,10+,11-/m1/s1
InChIKeyGFNRNSKUQLUWKO-OUAUKWLOSA-N
XLogP4.21
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]amino]-5-propan-2-yl-1,3-thiazol-4-ol?
The IUPAC name of 2-[[(1R,2R,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]amino]-5-propan-2-yl-1,3-thiazol-4-ol (CID 90974911) is 2-[[(1R,2R,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]amino]-5-propan-2-yl-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[[(1R,2R,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]amino]-5-propan-2-yl-1,3-thiazol-4-ol?
The canonical SMILES for 2-[[(1R,2R,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]amino]-5-propan-2-yl-1,3-thiazol-4-ol is CC(C)c1sc(N[C@@H]2C[C@H]3CC[C@@H]2C3(C)C)nc1O.
What is the InChIKey of 2-[[(1R,2R,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]amino]-5-propan-2-yl-1,3-thiazol-4-ol?
The InChIKey is GFNRNSKUQLUWKO-OUAUKWLOSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-8(2)12-13(18)17-14(19-12)16-11-7-9-5-6-10(11)15(9,3)4/h8-11,18H,5-7H2,1-4H3,(H,16,17)/t9-,10+,11-/m1/s1.
What are the key properties of 2-[[(1R,2R,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]amino]-5-propan-2-yl-1,3-thiazol-4-ol?
2-[[(1R,2R,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]amino]-5-propan-2-yl-1,3-thiazol-4-ol has a molecular weight of 280.44 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl]amino]-5-propan-2-yl-1,3-thiazol-4-ol is sourced from PubChem (CID 90974911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).