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

C11H20N2OS — CID 79247516

IUPAC(4S)-N-(oxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)[C@H]1CSC(NC2CCOCC2)=N1
InChIInChI=1S/C11H20N2OS/c1-8(2)10-7-15-11(13-10)12-9-3-5-14-6-4-9/h8-10H,3-7H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKeyPASSIHGCOUCFSN-SNVBAGLBSA-N
MW228.36 g/mol
LogP1.88
Rot. Bonds2

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

(4S)-N-(oxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 79247516) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is (4S)-N-(oxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S)-N-(oxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID79247516
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name(4S)-N-(oxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)[C@H]1CSC(NC2CCOCC2)=N1
InChIInChI=1S/C11H20N2OS/c1-8(2)10-7-15-11(13-10)12-9-3-5-14-6-4-9/h8-10H,3-7H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKeyPASSIHGCOUCFSN-SNVBAGLBSA-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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Related Compounds

N-(oxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43610486
N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43610488
4-ethyl-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43610489
5-methyl-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43610492
4-(2-methylpropyl)-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61251135
N-(oxan-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61868546
N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61868547
5-methyl-N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61868750
N-(3-methoxy-2-methylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61959501
N-(oxolan-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 62824362
5-cyclopropyl-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296248
5-cyclopropyl-N-(oxan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296571

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(oxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S)-N-(oxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 79247516) is (4S)-N-(oxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S)-N-(oxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S)-N-(oxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CC(C)[C@H]1CSC(NC2CCOCC2)=N1.
What is the InChIKey of (4S)-N-(oxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is PASSIHGCOUCFSN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-8(2)10-7-15-11(13-10)12-9-3-5-14-6-4-9/h8-10H,3-7H2,1-2H3,(H,12,13)/t10-/m1/s1.
What are the key properties of (4S)-N-(oxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
(4S)-N-(oxan-4-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-(oxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 79247516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).