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

C10H18N2S — CID 65169091

IUPAC3-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine
SMILESCCC(c1nc(C)c(C)s1)C(C)N
InChIInChI=1S/C10H18N2S/c1-5-9(6(2)11)10-12-7(3)8(4)13-10/h6,9H,5,11H2,1-4H3
InChIKeyFBVMNENXDLMWAN-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.60
Rot. Bonds3

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

3-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine (PubChem CID 65169091) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine
PubChem CID65169091
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name3-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine
SMILESCCC(c1nc(C)c(C)s1)C(C)N
InChIInChI=1S/C10H18N2S/c1-5-9(6(2)11)10-12-7(3)8(4)13-10/h6,9H,5,11H2,1-4H3
InChIKeyFBVMNENXDLMWAN-UHFFFAOYSA-N
XLogP2.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine?
The IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine (CID 65169091) is 3-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine?
The canonical SMILES for 3-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine is CCC(c1nc(C)c(C)s1)C(C)N.
What is the InChIKey of 3-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine?
The InChIKey is FBVMNENXDLMWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-5-9(6(2)11)10-12-7(3)8(4)13-10/h6,9H,5,11H2,1-4H3.
What are the key properties of 3-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine?
3-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine has a molecular weight of 198.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 65169091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).