1-(2-methoxy-1,3-thiazol-5-yl)propan-1-amine

C7H12N2OS — CID 130593121

IUPAC1-(2-methoxy-1,3-thiazol-5-yl)propan-1-amine
SMILESCCC(N)c1cnc(OC)s1
InChIInChI=1S/C7H12N2OS/c1-3-5(8)6-4-9-7(10-2)11-6/h4-5H,3,8H2,1-2H3
InChIKeyQWMKMXLAQLQSOP-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.56
Rot. Bonds3

About 1-(2-methoxy-1,3-thiazol-5-yl)propan-1-amine

1-(2-methoxy-1,3-thiazol-5-yl)propan-1-amine (PubChem CID 130593121) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-(2-methoxy-1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-1,3-thiazol-5-yl)propan-1-amine
PubChem CID130593121
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name1-(2-methoxy-1,3-thiazol-5-yl)propan-1-amine
SMILESCCC(N)c1cnc(OC)s1
InChIInChI=1S/C7H12N2OS/c1-3-5(8)6-4-9-7(10-2)11-6/h4-5H,3,8H2,1-2H3
InChIKeyQWMKMXLAQLQSOP-UHFFFAOYSA-N
XLogP1.56
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2,2,2-trifluoro-1-(2-methoxy-1,3-thiazol-5-yl)ethanol
CID 130593114
1-(1,3-thiazol-5-yl)propan-1-amine
CID 67336934
2-methoxy-5-methyl-1,3-thiazole
CID 12743061
(E)-4-(2-methoxy-1,3-thiazol-5-yl)but-3-en-2-amine
CID 130590588
(1R)-1-(6-methoxy-4-methyl-3-pyridinyl)propan-1-amine
CID 55277607
1-(5-chloro-1,3-thiazol-2-yl)propan-1-amine
CID 66220871
2-methoxy-1,3-thiazol-5-ol
CID 130658802
(1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938100
2-amino-2-(2-methylsulfanyl-1,3-thiazol-5-yl)ethanol
CID 84662868
2-(2-methoxy-1,3-thiazol-5-yl)ethanol
CID 83674256
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
5-(2-chloroethyl)-2-methoxy-1,3-thiazole
CID 130590548

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of 1-(2-methoxy-1,3-thiazol-5-yl)propan-1-amine (CID 130593121) is 1-(2-methoxy-1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 1-(2-methoxy-1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 1-(2-methoxy-1,3-thiazol-5-yl)propan-1-amine is CCC(N)c1cnc(OC)s1.
What is the InChIKey of 1-(2-methoxy-1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is QWMKMXLAQLQSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-3-5(8)6-4-9-7(10-2)11-6/h4-5H,3,8H2,1-2H3.
What are the key properties of 1-(2-methoxy-1,3-thiazol-5-yl)propan-1-amine?
1-(2-methoxy-1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 172.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 130593121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).