3-(2-methylpropyl)-2H-1,3-thiazole

C7H13NS — CID 154165307

IUPAC3-(2-methylpropyl)-2H-1,3-thiazole
SMILESCC(C)CN1C=CSC1
InChIInChI=1S/C7H13NS/c1-7(2)5-8-3-4-9-6-8/h3-4,7H,5-6H2,1-2H3
InChIKeyXDRUCGIBKYJLEO-UHFFFAOYSA-N
MW143.26 g/mol
LogP2.12
Rot. Bonds2

About 3-(2-methylpropyl)-2H-1,3-thiazole

3-(2-methylpropyl)-2H-1,3-thiazole (PubChem CID 154165307) has the molecular formula C7H13NS and a molecular weight of 143.26 g/mol. Its IUPAC name is 3-(2-methylpropyl)-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(2-methylpropyl)-2H-1,3-thiazole
PubChem CID154165307
Molecular FormulaC7H13NS
Molecular Weight143.26 g/mol
Exact Mass143.08
IUPAC Name3-(2-methylpropyl)-2H-1,3-thiazole
SMILESCC(C)CN1C=CSC1
InChIInChI=1S/C7H13NS/c1-7(2)5-8-3-4-9-6-8/h3-4,7H,5-6H2,1-2H3
InChIKeyXDRUCGIBKYJLEO-UHFFFAOYSA-N
XLogP2.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-thiazole
CID 15407522
3-(3-fluoropropyl)-2H-1,3-thiazole
CID 140972978
3-(3-Fluoropropyl)-2-methylidene-1,3-thiazole
CID 141829740
3-(difluoromethyl)-2-propan-2-yl-2H-1,3-thiazole
CID 173055787
2-propan-2-yl-3-(trifluoromethyl)-2H-1,3-thiazole
CID 173055811
CID 164679965
CID 164679965
3-ethyl-2H-1,3-thiazole
CID 18381193
3-propan-2-yl-2H-1,3-thiazole
CID 22091758
2-methyl-3-propyl-2H-1,3-thiazole
CID 22419292
2,3-dimethyl-2H-1,3-thiazole
CID 23182463
3-Ethyl-2-methylidene-1,3-thiazole
CID 53650336
3-propyl-2H-1,3-thiazole
CID 54072042

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-2H-1,3-thiazole?
The IUPAC name of 3-(2-methylpropyl)-2H-1,3-thiazole (CID 154165307) is 3-(2-methylpropyl)-2H-1,3-thiazole.
What is the SMILES notation for 3-(2-methylpropyl)-2H-1,3-thiazole?
The canonical SMILES for 3-(2-methylpropyl)-2H-1,3-thiazole is CC(C)CN1C=CSC1.
What is the InChIKey of 3-(2-methylpropyl)-2H-1,3-thiazole?
The InChIKey is XDRUCGIBKYJLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-7(2)5-8-3-4-9-6-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-2H-1,3-thiazole?
3-(2-methylpropyl)-2H-1,3-thiazole has a molecular weight of 143.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-2H-1,3-thiazole is sourced from PubChem (CID 154165307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).