N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoropropan-1-amine

C10H17FN2S — CID 81106811

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoropropan-1-amine
SMILESCc1nc(C)c(C(C)NCCCF)s1
InChIInChI=1S/C10H17FN2S/c1-7(12-6-4-5-11)10-8(2)13-9(3)14-10/h7,12H,4-6H2,1-3H3
InChIKeySLNPCLUVPQYREJ-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.77
Rot. Bonds5

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoropropan-1-amine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoropropan-1-amine (PubChem CID 81106811) has the molecular formula C10H17FN2S and a molecular weight of 216.32 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoropropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoropropan-1-amine
PubChem CID81106811
Molecular FormulaC10H17FN2S
Molecular Weight216.32 g/mol
Exact Mass216.11
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoropropan-1-amine
SMILESCc1nc(C)c(C(C)NCCCF)s1
InChIInChI=1S/C10H17FN2S/c1-7(12-6-4-5-11)10-8(2)13-9(3)14-10/h7,12H,4-6H2,1-3H3
InChIKeySLNPCLUVPQYREJ-UHFFFAOYSA-N
XLogP2.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoropropan-1-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoropropan-1-amine (CID 81106811) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoropropan-1-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoropropan-1-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoropropan-1-amine is Cc1nc(C)c(C(C)NCCCF)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoropropan-1-amine?
The InChIKey is SLNPCLUVPQYREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2S/c1-7(12-6-4-5-11)10-8(2)13-9(3)14-10/h7,12H,4-6H2,1-3H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoropropan-1-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoropropan-1-amine has a molecular weight of 216.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-fluoropropan-1-amine is sourced from PubChem (CID 81106811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).