3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(propylamino)propan-1-ol

C11H20N2OS — CID 64813657

IUPAC3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(propylamino)propan-1-ol
SMILESCCCNC(CCO)c1sc(C)nc1C
InChIInChI=1S/C11H20N2OS/c1-4-6-12-10(5-7-14)11-8(2)13-9(3)15-11/h10,12,14H,4-7H2,1-3H3
InChIKeyFRCHQOAIHUYXFE-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.18
Rot. Bonds6

About 3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(propylamino)propan-1-ol

3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(propylamino)propan-1-ol (PubChem CID 64813657) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(propylamino)propan-1-ol
PubChem CID64813657
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(propylamino)propan-1-ol
SMILESCCCNC(CCO)c1sc(C)nc1C
InChIInChI=1S/C11H20N2OS/c1-4-6-12-10(5-7-14)11-8(2)13-9(3)15-11/h10,12,14H,4-7H2,1-3H3
InChIKeyFRCHQOAIHUYXFE-UHFFFAOYSA-N
XLogP2.18
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-ethyl-N-propylbutan-1-amine
CID 114033793
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol
CID 115729166
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine
CID 63492567
1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine
CID 55121164
1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-ol
CID 82630324
N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114033825
3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol
CID 105379697
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 55241750
3-naphthalen-2-yl-3-(propylamino)propan-1-ol
CID 64814482
3-(2-ethylphenyl)-3-(propylamino)propan-1-ol
CID 65235088
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol
CID 113261392
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutan-2-ol
CID 115720451

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(propylamino)propan-1-ol?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(propylamino)propan-1-ol (CID 64813657) is 3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(propylamino)propan-1-ol.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(propylamino)propan-1-ol?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(propylamino)propan-1-ol is CCCNC(CCO)c1sc(C)nc1C.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(propylamino)propan-1-ol?
The InChIKey is FRCHQOAIHUYXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-6-12-10(5-7-14)11-8(2)13-9(3)15-11/h10,12,14H,4-7H2,1-3H3.
What are the key properties of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(propylamino)propan-1-ol?
3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(propylamino)propan-1-ol has a molecular weight of 228.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(propylamino)propan-1-ol is sourced from PubChem (CID 64813657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).