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

C11H18N2S — CID 146444967

IUPAC(2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclobutyl)methanamine
SMILESCc1nc(C(N)C2(C)CCC2)c(C)s1
InChIInChI=1S/C11H18N2S/c1-7-9(13-8(2)14-7)10(12)11(3)5-4-6-11/h10H,4-6,12H2,1-3H3
InChIKeySCQBQOVLBYKXID-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.95
Rot. Bonds2

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

(2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclobutyl)methanamine (PubChem CID 146444967) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclobutyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclobutyl)methanamine
PubChem CID146444967
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name(2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclobutyl)methanamine
SMILESCc1nc(C(N)C2(C)CCC2)c(C)s1
InChIInChI=1S/C11H18N2S/c1-7-9(13-8(2)14-7)10(12)11(3)5-4-6-11/h10H,4-6,12H2,1-3H3
InChIKeySCQBQOVLBYKXID-UHFFFAOYSA-N
XLogP2.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclobutyl)methanamine?
The IUPAC name of (2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclobutyl)methanamine (CID 146444967) is (2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclobutyl)methanamine.
What is the SMILES notation for (2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclobutyl)methanamine?
The canonical SMILES for (2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclobutyl)methanamine is Cc1nc(C(N)C2(C)CCC2)c(C)s1.
What is the InChIKey of (2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclobutyl)methanamine?
The InChIKey is SCQBQOVLBYKXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-7-9(13-8(2)14-7)10(12)11(3)5-4-6-11/h10H,4-6,12H2,1-3H3.
What are the key properties of (2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclobutyl)methanamine?
(2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclobutyl)methanamine has a molecular weight of 210.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-thiazol-4-yl)-(1-methylcyclobutyl)methanamine is sourced from PubChem (CID 146444967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).