N-decyl-4-(difluoromethyl)-1,3-thiazol-2-amine

C14H24F2N2S — CID 150145792

IUPACN-decyl-4-(difluoromethyl)-1,3-thiazol-2-amine
SMILESCCCCCCCCCCNc1nc(C(F)F)cs1
InChIInChI=1S/C14H24F2N2S/c1-2-3-4-5-6-7-8-9-10-17-14-18-12(11-19-14)13(15)16/h11,13H,2-10H2,1H3,(H,17,18)
InChIKeyFEFPUGSBCUGARQ-UHFFFAOYSA-N
MW290.42 g/mol
LogP5.63
Rot. Bonds11

About N-decyl-4-(difluoromethyl)-1,3-thiazol-2-amine

N-decyl-4-(difluoromethyl)-1,3-thiazol-2-amine (PubChem CID 150145792) has the molecular formula C14H24F2N2S and a molecular weight of 290.42 g/mol. Its IUPAC name is N-decyl-4-(difluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-decyl-4-(difluoromethyl)-1,3-thiazol-2-amine
PubChem CID150145792
Molecular FormulaC14H24F2N2S
Molecular Weight290.42 g/mol
Exact Mass290.16
IUPAC NameN-decyl-4-(difluoromethyl)-1,3-thiazol-2-amine
SMILESCCCCCCCCCCNc1nc(C(F)F)cs1
InChIInChI=1S/C14H24F2N2S/c1-2-3-4-5-6-7-8-9-10-17-14-18-12(11-19-14)13(15)16/h11,13H,2-10H2,1H3,(H,17,18)
InChIKeyFEFPUGSBCUGARQ-UHFFFAOYSA-N
XLogP5.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.42
LogP ≤ 55.63
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-decyl-4-(difluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-decyl-4-(difluoromethyl)-1,3-thiazol-2-amine (CID 150145792) is N-decyl-4-(difluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-decyl-4-(difluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-decyl-4-(difluoromethyl)-1,3-thiazol-2-amine is CCCCCCCCCCNc1nc(C(F)F)cs1.
What is the InChIKey of N-decyl-4-(difluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is FEFPUGSBCUGARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2S/c1-2-3-4-5-6-7-8-9-10-17-14-18-12(11-19-14)13(15)16/h11,13H,2-10H2,1H3,(H,17,18).
What are the key properties of N-decyl-4-(difluoromethyl)-1,3-thiazol-2-amine?
N-decyl-4-(difluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 290.42 g/mol, XLogP of 5.63, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-4-(difluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 150145792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).