(2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methylbutan-1-ol

C12H20N2OS — CID 103897153

IUPAC(2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCc1nc2c(s1)CCC2
InChIInChI=1S/C12H20N2OS/c1-8(2)10(7-15)13-6-12-14-9-4-3-5-11(9)16-12/h8,10,13,15H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyWFJFYFLVDVNZNG-SNVBAGLBSA-N
MW240.37 g/mol
LogP1.74
Rot. Bonds5

About (2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methylbutan-1-ol

(2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methylbutan-1-ol (PubChem CID 103897153) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is (2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methylbutan-1-ol
PubChem CID103897153
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name(2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCc1nc2c(s1)CCC2
InChIInChI=1S/C12H20N2OS/c1-8(2)10(7-15)13-6-12-14-9-4-3-5-11(9)16-12/h8,10,13,15H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyWFJFYFLVDVNZNG-SNVBAGLBSA-N
XLogP1.74
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methylbutan-1-ol (CID 103897153) is (2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methylbutan-1-ol is CC(C)[C@@H](CO)NCc1nc2c(s1)CCC2.
What is the InChIKey of (2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methylbutan-1-ol?
The InChIKey is WFJFYFLVDVNZNG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8(2)10(7-15)13-6-12-14-9-4-3-5-11(9)16-12/h8,10,13,15H,3-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methylbutan-1-ol?
(2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methylbutan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 103897153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).