1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine

C10H18N2S — CID 61331931

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1nc(C)c(C)s1
InChIInChI=1S/C10H18N2S/c1-5-6-9(11-4)10-12-7(2)8(3)13-10/h9,11H,5-6H2,1-4H3
InChIKeyTYYJDPPPJVWSCK-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.82
Rot. Bonds4

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine (PubChem CID 61331931) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine
PubChem CID61331931
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1nc(C)c(C)s1
InChIInChI=1S/C10H18N2S/c1-5-6-9(11-4)10-12-7(2)8(3)13-10/h9,11H,5-6H2,1-4H3
InChIKeyTYYJDPPPJVWSCK-UHFFFAOYSA-N
XLogP2.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
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-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine (CID 61331931) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine is CCCC(NC)c1nc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine?
The InChIKey is TYYJDPPPJVWSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-5-6-9(11-4)10-12-7(2)8(3)13-10/h9,11H,5-6H2,1-4H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine has a molecular weight of 198.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 61331931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).