5-(3,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole

C10H17NS — CID 59623657

IUPAC5-(3,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole
SMILESCc1ncc(C(C)C(C)(C)C)s1
InChIInChI=1S/C10H17NS/c1-7(10(3,4)5)9-6-11-8(2)12-9/h6-7H,1-5H3
InChIKeyYNAKUHNMOMJDCT-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.60
Rot. Bonds1

About 5-(3,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole

5-(3,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole (PubChem CID 59623657) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 5-(3,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(3,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole
PubChem CID59623657
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name5-(3,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole
SMILESCc1ncc(C(C)C(C)(C)C)s1
InChIInChI=1S/C10H17NS/c1-7(10(3,4)5)9-6-11-8(2)12-9/h6-7H,1-5H3
InChIKeyYNAKUHNMOMJDCT-UHFFFAOYSA-N
XLogP3.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(3,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole (CID 59623657) is 5-(3,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(3,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(3,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole is Cc1ncc(C(C)C(C)(C)C)s1.
What is the InChIKey of 5-(3,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole?
The InChIKey is YNAKUHNMOMJDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-7(10(3,4)5)9-6-11-8(2)12-9/h6-7H,1-5H3.
What are the key properties of 5-(3,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole?
5-(3,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole has a molecular weight of 183.32 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 59623657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).