2-methoxy-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole

C9H12N2OS — CID 130593173

IUPAC2-methoxy-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole
SMILESCOc1ncc(C2=CCCNC2)s1
InChIInChI=1S/C9H12N2OS/c1-12-9-11-6-8(13-9)7-3-2-4-10-5-7/h3,6,10H,2,4-5H2,1H3
InChIKeyOEDNPTYXMFHRBM-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.53
Rot. Bonds2

About 2-methoxy-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole

2-methoxy-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole (PubChem CID 130593173) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 2-methoxy-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-methoxy-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole
PubChem CID130593173
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name2-methoxy-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole
SMILESCOc1ncc(C2=CCCNC2)s1
InChIInChI=1S/C9H12N2OS/c1-12-9-11-6-8(13-9)7-3-2-4-10-5-7/h3,6,10H,2,4-5H2,1H3
InChIKeyOEDNPTYXMFHRBM-UHFFFAOYSA-N
XLogP1.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole?
The IUPAC name of 2-methoxy-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole (CID 130593173) is 2-methoxy-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-methoxy-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole?
The canonical SMILES for 2-methoxy-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole is COc1ncc(C2=CCCNC2)s1.
What is the InChIKey of 2-methoxy-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole?
The InChIKey is OEDNPTYXMFHRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-12-9-11-6-8(13-9)7-3-2-4-10-5-7/h3,6,10H,2,4-5H2,1H3.
What are the key properties of 2-methoxy-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole?
2-methoxy-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole has a molecular weight of 196.28 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole is sourced from PubChem (CID 130593173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).