(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol

C8H14N2OS — CID 93367091

IUPAC(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
SMILESCc1ncc(CNC[C@H](C)O)s1
InChIInChI=1S/C8H14N2OS/c1-6(11)3-9-4-8-5-10-7(2)12-8/h5-6,9,11H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyUUTSGNADEQHYQV-LURJTMIESA-N
MW186.28 g/mol
LogP0.92
Rot. Bonds4

About (2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol

(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol (PubChem CID 93367091) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is (2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
PubChem CID93367091
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
SMILESCc1ncc(CNC[C@H](C)O)s1
InChIInChI=1S/C8H14N2OS/c1-6(11)3-9-4-8-5-10-7(2)12-8/h5-6,9,11H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyUUTSGNADEQHYQV-LURJTMIESA-N
XLogP0.92
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 60941890
2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine
CID 61042812
3,3-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 112555963
3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]hexan-1-ol
CID 111470620
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylbutan-1-amine
CID 103617029
1-(2,5-dichlorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 61281619
3,3,3-trifluoro-2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]propanoic acid
CID 103243292
3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine
CID 60777388
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetonitrile
CID 61280637
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylpropanamide
CID 60777585
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 61280625
benzyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoate
CID 106483964

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol (CID 93367091) is (2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol is Cc1ncc(CNC[C@H](C)O)s1.
What is the InChIKey of (2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol?
The InChIKey is UUTSGNADEQHYQV-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2OS/c1-6(11)3-9-4-8-5-10-7(2)12-8/h5-6,9,11H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol?
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol has a molecular weight of 186.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol is sourced from PubChem (CID 93367091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).