2-(2-methoxy-1,3-thiazol-4-yl)propan-1-amine

C7H12N2OS — CID 82598532

IUPAC2-(2-methoxy-1,3-thiazol-4-yl)propan-1-amine
SMILESCOc1nc(C(C)CN)cs1
InChIInChI=1S/C7H12N2OS/c1-5(3-8)6-4-11-7(9-6)10-2/h4-5H,3,8H2,1-2H3
InChIKeyLIOYONDJUBCBJK-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.21
Rot. Bonds3

About 2-(2-methoxy-1,3-thiazol-4-yl)propan-1-amine

2-(2-methoxy-1,3-thiazol-4-yl)propan-1-amine (PubChem CID 82598532) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-(2-methoxy-1,3-thiazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-methoxy-1,3-thiazol-4-yl)propan-1-amine
PubChem CID82598532
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name2-(2-methoxy-1,3-thiazol-4-yl)propan-1-amine
SMILESCOc1nc(C(C)CN)cs1
InChIInChI=1S/C7H12N2OS/c1-5(3-8)6-4-11-7(9-6)10-2/h4-5H,3,8H2,1-2H3
InChIKeyLIOYONDJUBCBJK-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-1,3-thiazol-4-yl)propan-1-amine?
The IUPAC name of 2-(2-methoxy-1,3-thiazol-4-yl)propan-1-amine (CID 82598532) is 2-(2-methoxy-1,3-thiazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(2-methoxy-1,3-thiazol-4-yl)propan-1-amine?
The canonical SMILES for 2-(2-methoxy-1,3-thiazol-4-yl)propan-1-amine is COc1nc(C(C)CN)cs1.
What is the InChIKey of 2-(2-methoxy-1,3-thiazol-4-yl)propan-1-amine?
The InChIKey is LIOYONDJUBCBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-5(3-8)6-4-11-7(9-6)10-2/h4-5H,3,8H2,1-2H3.
What are the key properties of 2-(2-methoxy-1,3-thiazol-4-yl)propan-1-amine?
2-(2-methoxy-1,3-thiazol-4-yl)propan-1-amine has a molecular weight of 172.25 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-1,3-thiazol-4-yl)propan-1-amine is sourced from PubChem (CID 82598532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).