1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol

C8H14N2OS — CID 61044333

IUPAC1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
SMILESCc1csc(CNCC(C)O)n1
InChIInChI=1S/C8H14N2OS/c1-6-5-12-8(10-6)4-9-3-7(2)11/h5,7,9,11H,3-4H2,1-2H3
InChIKeyIRKZRSDTKHVQNE-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.92
Rot. Bonds4

About 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol

1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol (PubChem CID 61044333) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
PubChem CID61044333
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
SMILESCc1csc(CNCC(C)O)n1
InChIInChI=1S/C8H14N2OS/c1-6-5-12-8(10-6)4-9-3-7(2)11/h5,7,9,11H,3-4H2,1-2H3
InChIKeyIRKZRSDTKHVQNE-UHFFFAOYSA-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

4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 78992704
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 61044334
(2S)-1-[(4-chloro-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 154843998
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 61043484
2-chloro-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 107155892
1-(furan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol
CID 61044455
1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride
CID 56773666
(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 130629082
1-(2,4-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol
CID 111424572
2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 80695663
1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61042993
2-(2-chloroethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 106117244

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol (CID 61044333) is 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol is Cc1csc(CNCC(C)O)n1.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The InChIKey is IRKZRSDTKHVQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-6-5-12-8(10-6)4-9-3-7(2)11/h5,7,9,11H,3-4H2,1-2H3.
What are the key properties of 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
1-[(4-methyl-1,3-thiazol-2-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 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 61044333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).