2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine

C8H12N2S — CID 112645527

IUPAC2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine
SMILESNC1CCC1Cc1cncs1
InChIInChI=1S/C8H12N2S/c9-8-2-1-6(8)3-7-4-10-5-11-7/h4-6,8H,1-3,9H2
InChIKeyUBMAKLKZGFTVNY-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.42
Rot. Bonds2

About 2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine

2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine (PubChem CID 112645527) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine
PubChem CID112645527
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine
SMILESNC1CCC1Cc1cncs1
InChIInChI=1S/C8H12N2S/c9-8-2-1-6(8)3-7-4-10-5-11-7/h4-6,8H,1-3,9H2
InChIKeyUBMAKLKZGFTVNY-UHFFFAOYSA-N
XLogP1.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 165498055
2-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 112641294
2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 112645563
N-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine
CID 112645590
N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 112645575
5-[(5-bromo-2-methylcyclohexyl)methyl]-1,3-thiazole
CID 165497474
N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine
CID 112645572
2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine
CID 71644176
4-tert-butyl-2-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol
CID 112643810
5-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-1,3-thiazole
CID 112643860
N-ethyl-3-(1,3-thiazol-5-ylmethyl)oxan-4-amine
CID 106469378
5-[(2-chloro-5-propylcyclohexyl)methyl]-1,3-thiazole
CID 112643835

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine (CID 112645527) is 2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine is NC1CCC1Cc1cncs1.
What is the InChIKey of 2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine?
The InChIKey is UBMAKLKZGFTVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c9-8-2-1-6(8)3-7-4-10-5-11-7/h4-6,8H,1-3,9H2.
What are the key properties of 2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine?
2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine has a molecular weight of 168.26 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 112645527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).