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

C14H24N2OS — CID 163871827

IUPAC(5S)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-5-propan-2-yl-4H-1,3-thiazol-4-ol
SMILESCC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1O
InChIInChI=1S/C14H24N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-12,17H,4-7H2,1-3H3,(H,15,16)/t9-,10+,11+,12?,14+/m1/s1
InChIKeyPLLZPHIZNPKWPV-VZXJYRFPSA-N
MW268.43 g/mol
LogP2.60
Rot. Bonds2

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

(5S)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-5-propan-2-yl-4H-1,3-thiazol-4-ol (PubChem CID 163871827) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is (5S)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-5-propan-2-yl-4H-1,3-thiazol-4-ol.

Molecular Properties

Compound Name(5S)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-5-propan-2-yl-4H-1,3-thiazol-4-ol
PubChem CID163871827
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name(5S)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-5-propan-2-yl-4H-1,3-thiazol-4-ol
SMILESCC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1O
InChIInChI=1S/C14H24N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-12,17H,4-7H2,1-3H3,(H,15,16)/t9-,10+,11+,12?,14+/m1/s1
InChIKeyPLLZPHIZNPKWPV-VZXJYRFPSA-N
XLogP2.60
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361685
2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-1,3-thiazol-4-ol
CID 90793029
N-(1-propan-2-ylcyclopropyl)bicyclo[2.2.1]heptan-2-amine
CID 130671292
9-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2,6-dioxa-10-thia-8-azaspiro[4.5]dec-8-en-1-one
CID 70840890
N-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55198635
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-6H-1,3,5-oxathiazin-4-amine
CID 70840874
2-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 58168761
(2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol
CID 98118353
N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanamide
CID 61309353
N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine
CID 115355152
N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-1,3-thiazol-2-amine
CID 131209075
(1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine
CID 124526685

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-5-propan-2-yl-4H-1,3-thiazol-4-ol?
The IUPAC name of (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) is (5S)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-5-propan-2-yl-4H-1,3-thiazol-4-ol.
What is the SMILES notation for (5S)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-5-propan-2-yl-4H-1,3-thiazol-4-ol?
The canonical SMILES for (5S)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-5-propan-2-yl-4H-1,3-thiazol-4-ol is CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1O.
What is the InChIKey of (5S)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-5-propan-2-yl-4H-1,3-thiazol-4-ol?
The InChIKey is PLLZPHIZNPKWPV-VZXJYRFPSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-8(2)14(3)12(17)16-13(18-14)15-11-7-9-4-5-10(11)6-9/h8-12,17H,4-7H2,1-3H3,(H,15,16)/t9-,10+,11+,12?,14+/m1/s1.
What are the key properties of (5S)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-5-propan-2-yl-4H-1,3-thiazol-4-ol?
(5S)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-5-propan-2-yl-4H-1,3-thiazol-4-ol has a molecular weight of 268.43 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-5-propan-2-yl-4H-1,3-thiazol-4-ol is sourced from PubChem (CID 163871827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).