cyclobutyl-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine

C10H16N2S — CID 83686035

IUPACcyclobutyl-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine
SMILESCc1nc(C)c(C(N)C2CCC2)s1
InChIInChI=1S/C10H16N2S/c1-6-10(13-7(2)12-6)9(11)8-4-3-5-8/h8-9H,3-5,11H2,1-2H3
InChIKeyGMXPRJOYXUGNAX-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.56
Rot. Bonds2

About cyclobutyl-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine

cyclobutyl-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine (PubChem CID 83686035) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is cyclobutyl-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Namecyclobutyl-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine
PubChem CID83686035
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Namecyclobutyl-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine
SMILESCc1nc(C)c(C(N)C2CCC2)s1
InChIInChI=1S/C10H16N2S/c1-6-10(13-7(2)12-6)9(11)8-4-3-5-8/h8-9H,3-5,11H2,1-2H3
InChIKeyGMXPRJOYXUGNAX-UHFFFAOYSA-N
XLogP2.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of cyclobutyl-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine (CID 83686035) is cyclobutyl-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for cyclobutyl-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for cyclobutyl-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine is Cc1nc(C)c(C(N)C2CCC2)s1.
What is the InChIKey of cyclobutyl-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is GMXPRJOYXUGNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-6-10(13-7(2)12-6)9(11)8-4-3-5-8/h8-9H,3-5,11H2,1-2H3.
What are the key properties of cyclobutyl-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine?
cyclobutyl-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 196.32 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 83686035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).