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

C10H18N2OS — CID 111449241

IUPAC3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1nc(C)cs1
InChIInChI=1S/C10H18N2OS/c1-3-9(4-5-13)11-6-10-12-8(2)7-14-10/h7,9,11,13H,3-6H2,1-2H3
InChIKeyFLCRDDSWNMBAAY-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.70
Rot. Bonds6

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

3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol (PubChem CID 111449241) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol
PubChem CID111449241
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1nc(C)cs1
InChIInChI=1S/C10H18N2OS/c1-3-9(4-5-13)11-6-10-12-8(2)7-14-10/h7,9,11,13H,3-6H2,1-2H3
InChIKeyFLCRDDSWNMBAAY-UHFFFAOYSA-N
XLogP1.70
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 115900037
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 61044563
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62795685
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine
CID 63946760
ethyl 2-[(4-methyl-1,3-thiazol-2-yl)methylamino]butanoate
CID 64668560
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 61044334
2-[(1-hydroxypentan-3-ylamino)methyl]-6-methylpyridin-3-ol
CID 111449214
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 54913457
1-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 107859632
3-[(2,6-dimethylphenyl)methylamino]pentan-1-ol
CID 115897848
N-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine
CID 115691306
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 61043484

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol (CID 111449241) is 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol is CCC(CCO)NCc1nc(C)cs1.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol?
The InChIKey is FLCRDDSWNMBAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-3-9(4-5-13)11-6-10-12-8(2)7-14-10/h7,9,11,13H,3-6H2,1-2H3.
What are the key properties of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol?
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 111449241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).