(4S)-N-(2-methyloxolan-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C11H20N2OS — CID 82727988

IUPAC(4S)-N-(2-methyloxolan-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1OCCC1NC1=N[C@@H](C(C)C)CS1
InChIInChI=1S/C11H20N2OS/c1-7(2)10-6-15-11(13-10)12-9-4-5-14-8(9)3/h7-10H,4-6H2,1-3H3,(H,12,13)/t8?,9?,10-/m1/s1
InChIKeyYUYSBHVSNQGLMF-UDNWOFFPSA-N
MW228.36 g/mol
LogP1.88
Rot. Bonds2

About (4S)-N-(2-methyloxolan-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

(4S)-N-(2-methyloxolan-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 82727988) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is (4S)-N-(2-methyloxolan-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S)-N-(2-methyloxolan-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID82727988
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name(4S)-N-(2-methyloxolan-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1OCCC1NC1=N[C@@H](C(C)C)CS1
InChIInChI=1S/C11H20N2OS/c1-7(2)10-6-15-11(13-10)12-9-4-5-14-8(9)3/h7-10H,4-6H2,1-3H3,(H,12,13)/t8?,9?,10-/m1/s1
InChIKeyYUYSBHVSNQGLMF-UDNWOFFPSA-N
XLogP1.88
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2-methyloxolan-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S)-N-(2-methyloxolan-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 82727988) is (4S)-N-(2-methyloxolan-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S)-N-(2-methyloxolan-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S)-N-(2-methyloxolan-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CC1OCCC1NC1=N[C@@H](C(C)C)CS1.
What is the InChIKey of (4S)-N-(2-methyloxolan-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YUYSBHVSNQGLMF-UDNWOFFPSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-7(2)10-6-15-11(13-10)12-9-4-5-14-8(9)3/h7-10H,4-6H2,1-3H3,(H,12,13)/t8?,9?,10-/m1/s1.
What are the key properties of (4S)-N-(2-methyloxolan-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
(4S)-N-(2-methyloxolan-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 228.36 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2-methyloxolan-3-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 82727988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).