1-cyclobutyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

C11H18N2S — CID 130703480

IUPAC1-cyclobutyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(N)(c1nc(C)cs1)C1CCC1
InChIInChI=1S/C11H18N2S/c1-3-11(12,9-5-4-6-9)10-13-8(2)7-14-10/h7,9H,3-6,12H2,1-2H3
InChIKeyXADNHMGNRFDSSH-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.82
Rot. Bonds3

About 1-cyclobutyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

1-cyclobutyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 130703480) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 1-cyclobutyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-cyclobutyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID130703480
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name1-cyclobutyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(N)(c1nc(C)cs1)C1CCC1
InChIInChI=1S/C11H18N2S/c1-3-11(12,9-5-4-6-9)10-13-8(2)7-14-10/h7,9H,3-6,12H2,1-2H3
InChIKeyXADNHMGNRFDSSH-UHFFFAOYSA-N
XLogP2.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 1-cyclobutyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (CID 130703480) is 1-cyclobutyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-cyclobutyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 1-cyclobutyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is CCC(N)(c1nc(C)cs1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is XADNHMGNRFDSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-3-11(12,9-5-4-6-9)10-13-8(2)7-14-10/h7,9H,3-6,12H2,1-2H3.
What are the key properties of 1-cyclobutyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
1-cyclobutyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 210.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 130703480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).