3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine

C8H12N2S — CID 103563874

IUPAC3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine
SMILESCC1CC(N)(c2nccs2)C1
InChIInChI=1S/C8H12N2S/c1-6-4-8(9,5-6)7-10-2-3-11-7/h2-3,6H,4-5,9H2,1H3
InChIKeyKYQMSPYPRKZILA-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.73
Rot. Bonds1

About 3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine

3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine (PubChem CID 103563874) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine
PubChem CID103563874
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine
SMILESCC1CC(N)(c2nccs2)C1
InChIInChI=1S/C8H12N2S/c1-6-4-8(9,5-6)7-10-2-3-11-7/h2-3,6H,4-5,9H2,1H3
InChIKeyKYQMSPYPRKZILA-UHFFFAOYSA-N
XLogP1.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine
CID 103563943
3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 107429493
N,2,3-trimethyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine
CID 130877388
2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine
CID 79951862
2-(2-methyloxiran-2-yl)-1,3-thiazole
CID 45121806
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylcyclobutan-1-amine
CID 103563880
N,2,4,4-tetramethyl-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 106663582
4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79823883
2-(3-methyloxetan-3-yl)-1,3-thiazole
CID 58513727
N,3-dimethyl-4-(1,3-thiazol-2-yl)piperidin-4-amine
CID 114501724
5-methyl-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine
CID 79949785
1-methyl-3-(1,3-thiazol-2-yl)azetidin-3-ol
CID 67481659

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine (CID 103563874) is 3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine is CC1CC(N)(c2nccs2)C1.
What is the InChIKey of 3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine?
The InChIKey is KYQMSPYPRKZILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-6-4-8(9,5-6)7-10-2-3-11-7/h2-3,6H,4-5,9H2,1H3.
What are the key properties of 3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine?
3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine has a molecular weight of 168.26 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 103563874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).