(4S)-N-[1-(oxolan-2-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C12H22N2OS — CID 79246684

IUPAC(4S)-N-[1-(oxolan-2-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(NC1=N[C@@H](C(C)C)CS1)C1CCCO1
InChIInChI=1S/C12H22N2OS/c1-8(2)10-7-16-12(14-10)13-9(3)11-5-4-6-15-11/h8-11H,4-7H2,1-3H3,(H,13,14)/t9?,10-,11?/m1/s1
InChIKeyFGJLOMPPHMDOQH-HSOILSAZSA-N
MW242.39 g/mol
LogP2.27
Rot. Bonds3

About (4S)-N-[1-(oxolan-2-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

(4S)-N-[1-(oxolan-2-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 79246684) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is (4S)-N-[1-(oxolan-2-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S)-N-[1-(oxolan-2-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID79246684
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name(4S)-N-[1-(oxolan-2-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(NC1=N[C@@H](C(C)C)CS1)C1CCCO1
InChIInChI=1S/C12H22N2OS/c1-8(2)10-7-16-12(14-10)13-9(3)11-5-4-6-15-11/h8-11H,4-7H2,1-3H3,(H,13,14)/t9?,10-,11?/m1/s1
InChIKeyFGJLOMPPHMDOQH-HSOILSAZSA-N
XLogP2.27
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-N-[1-(oxolan-2-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine with MolForge

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Related Compounds

5-methyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43440025
4-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 43534258
5-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 43534259
4-ethyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 43534262
N-[1-(oxolan-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43534263
N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 43534264
4-(2-methylpropyl)-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 61250765
N-(2-methoxycyclopentyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 62087197
N-(2-methoxycyclopentyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 62087369
5-cyclopropyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296651
5-cyclopropyl-N-(2-methoxycyclopentyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296710
5-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63296756

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[1-(oxolan-2-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S)-N-[1-(oxolan-2-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 79246684) is (4S)-N-[1-(oxolan-2-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S)-N-[1-(oxolan-2-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S)-N-[1-(oxolan-2-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CC(NC1=N[C@@H](C(C)C)CS1)C1CCCO1.
What is the InChIKey of (4S)-N-[1-(oxolan-2-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is FGJLOMPPHMDOQH-HSOILSAZSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-8(2)10-7-16-12(14-10)13-9(3)11-5-4-6-15-11/h8-11H,4-7H2,1-3H3,(H,13,14)/t9?,10-,11?/m1/s1.
What are the key properties of (4S)-N-[1-(oxolan-2-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
(4S)-N-[1-(oxolan-2-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[1-(oxolan-2-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 79246684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).