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

C10H18N2OS — CID 103757495

IUPAC(2R)-2-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol
SMILESCC(C)c1ncc(CN[C@H](C)CO)s1
InChIInChI=1S/C10H18N2OS/c1-7(2)10-12-5-9(14-10)4-11-8(3)6-13/h5,7-8,11,13H,4,6H2,1-3H3/t8-/m1/s1
InChIKeyJROHLORJTQJTKF-MRVPVSSYSA-N
MW214.33 g/mol
LogP1.74
Rot. Bonds5

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

(2R)-2-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol (PubChem CID 103757495) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is (2R)-2-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol
PubChem CID103757495
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name(2R)-2-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol
SMILESCC(C)c1ncc(CN[C@H](C)CO)s1
InChIInChI=1S/C10H18N2OS/c1-7(2)10-12-5-9(14-10)4-11-8(3)6-13/h5,7-8,11,13H,4,6H2,1-3H3/t8-/m1/s1
InChIKeyJROHLORJTQJTKF-MRVPVSSYSA-N
XLogP1.74
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 115694090
(2R)-2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
CID 111382371
N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61282504
(2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol
CID 94578466
(2R)-2-[[2-(3-chlorophenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
CID 166242585
3,3,3-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115694089
(2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol
CID 93082561
1-(1,2-oxazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]methanamine
CID 115694095
2,2-dimethyl-3-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propanenitrile
CID 104587228
N-[[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116727637
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol
CID 79254041
methyl 3-(2-propan-2-yl-1,3-thiazol-5-yl)propanoate
CID 58898126

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol (CID 103757495) is (2R)-2-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol is CC(C)c1ncc(CN[C@H](C)CO)s1.
What is the InChIKey of (2R)-2-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol?
The InChIKey is JROHLORJTQJTKF-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7(2)10-12-5-9(14-10)4-11-8(3)6-13/h5,7-8,11,13H,4,6H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-2-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol?
(2R)-2-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol has a molecular weight of 214.33 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 (2R)-2-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol is sourced from PubChem (CID 103757495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).