3-methyl-5-(propan-2-yloxymethyl)-1,2-thiazole

C8H13NOS — CID 171731875

IUPAC3-methyl-5-(propan-2-yloxymethyl)-1,2-thiazole
SMILESCc1cc(COC(C)C)sn1
InChIInChI=1S/C8H13NOS/c1-6(2)10-5-8-4-7(3)9-11-8/h4,6H,5H2,1-3H3
InChIKeyYZYRDVZIFAXIJX-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.38
Rot. Bonds3

About 3-methyl-5-(propan-2-yloxymethyl)-1,2-thiazole

3-methyl-5-(propan-2-yloxymethyl)-1,2-thiazole (PubChem CID 171731875) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-methyl-5-(propan-2-yloxymethyl)-1,2-thiazole.

Molecular Properties

Compound Name3-methyl-5-(propan-2-yloxymethyl)-1,2-thiazole
PubChem CID171731875
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name3-methyl-5-(propan-2-yloxymethyl)-1,2-thiazole
SMILESCc1cc(COC(C)C)sn1
InChIInChI=1S/C8H13NOS/c1-6(2)10-5-8-4-7(3)9-11-8/h4,6H,5H2,1-3H3
InChIKeyYZYRDVZIFAXIJX-UHFFFAOYSA-N
XLogP2.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Methyl-1,2-thiazol-5-yl)methanol
CID 14343601
5-(Methoxymethyl)-3-methyl-1,2-thiazole
CID 58602875
5-Isothiazolemethanol,3-methyl-,5-methanesulfonate
CID 121398700
N,N-dimethyl-2-[(5-methyl-1,2-thiazol-3-yl)methoxy]ethanamine
CID 145535459
3-Methyl-5-[(3-methyl-1,2-thiazol-5-yl)methoxymethyl]-1,2-thiazole
CID 86037500
3-[(3-Methyl-1,2-thiazol-5-yl)methoxy]propanenitrile
CID 86037610
(5-Methyl-1,2-thiazol-3-yl)methyl acetate
CID 131201632
2-Ethoxy-2-(3-methyl-1,2-thiazol-5-yl)ethan-1-amine
CID 165848493

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(propan-2-yloxymethyl)-1,2-thiazole?
The IUPAC name of 3-methyl-5-(propan-2-yloxymethyl)-1,2-thiazole (CID 171731875) is 3-methyl-5-(propan-2-yloxymethyl)-1,2-thiazole.
What is the SMILES notation for 3-methyl-5-(propan-2-yloxymethyl)-1,2-thiazole?
The canonical SMILES for 3-methyl-5-(propan-2-yloxymethyl)-1,2-thiazole is Cc1cc(COC(C)C)sn1.
What is the InChIKey of 3-methyl-5-(propan-2-yloxymethyl)-1,2-thiazole?
The InChIKey is YZYRDVZIFAXIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-6(2)10-5-8-4-7(3)9-11-8/h4,6H,5H2,1-3H3.
What are the key properties of 3-methyl-5-(propan-2-yloxymethyl)-1,2-thiazole?
3-methyl-5-(propan-2-yloxymethyl)-1,2-thiazole has a molecular weight of 171.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(propan-2-yloxymethyl)-1,2-thiazole is sourced from PubChem (CID 171731875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).