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

C10H16N2OS — CID 115656408

IUPAC2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
SMILESCC(CO)NCc1csc(C2CC2)n1
InChIInChI=1S/C10H16N2OS/c1-7(5-13)11-4-9-6-14-10(12-9)8-2-3-8/h6-8,11,13H,2-5H2,1H3
InChIKeySQXHNQFGRVJKOH-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.49
Rot. Bonds5

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

2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]propan-1-ol (PubChem CID 115656408) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
PubChem CID115656408
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
SMILESCC(CO)NCc1csc(C2CC2)n1
InChIInChI=1S/C10H16N2OS/c1-7(5-13)11-4-9-6-14-10(12-9)8-2-3-8/h6-8,11,13H,2-5H2,1H3
InChIKeySQXHNQFGRVJKOH-UHFFFAOYSA-N
XLogP1.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methoxypropan-2-amine
CID 115625486
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-methylbutan-2-amine
CID 115625561
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 62070996
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide
CID 75358505
1-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425440
1-(2-cyclohexyl-1,3-thiazol-4-yl)-N-methylmethanamine
CID 61280857
2-cyclobutyl-4-(2-methylpropyl)-1,3-thiazole
CID 130891959
N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 107925558
N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116888553
(2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol
CID 114985652
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 61280289

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]propan-1-ol?
The IUPAC name of 2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]propan-1-ol (CID 115656408) is 2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]propan-1-ol is CC(CO)NCc1csc(C2CC2)n1.
What is the InChIKey of 2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]propan-1-ol?
The InChIKey is SQXHNQFGRVJKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7(5-13)11-4-9-6-14-10(12-9)8-2-3-8/h6-8,11,13H,2-5H2,1H3.
What are the key properties of 2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]propan-1-ol?
2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]propan-1-ol has a molecular weight of 212.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 115656408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).