3-(cyclobutylmethyl)-4-(2,2-dimethylpropyl)-1,2-thiazole

C13H21NS — CID 58157870

IUPAC3-(cyclobutylmethyl)-4-(2,2-dimethylpropyl)-1,2-thiazole
SMILESCC(C)(C)Cc1csnc1CC1CCC1
InChIInChI=1S/C13H21NS/c1-13(2,3)8-11-9-15-14-12(11)7-10-5-4-6-10/h9-10H,4-8H2,1-3H3
InChIKeyFAHGHWOVWJOFNI-UHFFFAOYSA-N
MW223.38 g/mol
LogP4.07
Rot. Bonds3

About 3-(cyclobutylmethyl)-4-(2,2-dimethylpropyl)-1,2-thiazole

3-(cyclobutylmethyl)-4-(2,2-dimethylpropyl)-1,2-thiazole (PubChem CID 58157870) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-4-(2,2-dimethylpropyl)-1,2-thiazole.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-4-(2,2-dimethylpropyl)-1,2-thiazole
PubChem CID58157870
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name3-(cyclobutylmethyl)-4-(2,2-dimethylpropyl)-1,2-thiazole
SMILESCC(C)(C)Cc1csnc1CC1CCC1
InChIInChI=1S/C13H21NS/c1-13(2,3)8-11-9-15-14-12(11)7-10-5-4-6-10/h9-10H,4-8H2,1-3H3
InChIKeyFAHGHWOVWJOFNI-UHFFFAOYSA-N
XLogP4.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-4-(2,2-dimethylpropyl)-1,2-thiazole?
The IUPAC name of 3-(cyclobutylmethyl)-4-(2,2-dimethylpropyl)-1,2-thiazole (CID 58157870) is 3-(cyclobutylmethyl)-4-(2,2-dimethylpropyl)-1,2-thiazole.
What is the SMILES notation for 3-(cyclobutylmethyl)-4-(2,2-dimethylpropyl)-1,2-thiazole?
The canonical SMILES for 3-(cyclobutylmethyl)-4-(2,2-dimethylpropyl)-1,2-thiazole is CC(C)(C)Cc1csnc1CC1CCC1.
What is the InChIKey of 3-(cyclobutylmethyl)-4-(2,2-dimethylpropyl)-1,2-thiazole?
The InChIKey is FAHGHWOVWJOFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-13(2,3)8-11-9-15-14-12(11)7-10-5-4-6-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-(cyclobutylmethyl)-4-(2,2-dimethylpropyl)-1,2-thiazole?
3-(cyclobutylmethyl)-4-(2,2-dimethylpropyl)-1,2-thiazole has a molecular weight of 223.38 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-4-(2,2-dimethylpropyl)-1,2-thiazole is sourced from PubChem (CID 58157870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).