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

C14H23F3N2S — CID 151675650

IUPACN-decyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCCCCCCCCCCNc1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H23F3N2S/c1-2-3-4-5-6-7-8-9-10-18-13-19-12(11-20-13)14(15,16)17/h11H,2-10H2,1H3,(H,18,19)
InChIKeyQZLPPEKDHAIMGR-UHFFFAOYSA-N
MW308.41 g/mol
LogP5.71
Rot. Bonds10

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

N-decyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 151675650) has the molecular formula C14H23F3N2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-decyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-decyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID151675650
Molecular FormulaC14H23F3N2S
Molecular Weight308.41 g/mol
Exact Mass308.15
IUPAC NameN-decyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCCCCCCCCCCNc1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H23F3N2S/c1-2-3-4-5-6-7-8-9-10-18-13-19-12(11-20-13)14(15,16)17/h11H,2-10H2,1H3,(H,18,19)
InChIKeyQZLPPEKDHAIMGR-UHFFFAOYSA-N
XLogP5.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.41
LogP ≤ 55.71
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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Related Compounds

CID 29268625
CID 29268625
CID 178204
CID 178204
CID 2317865
CID 2317865
CID 2725498
CID 2725498
CID 23074121
CID 23074121
CID 178202
CID 178202
CID 178203
CID 178203
CID 178205
CID 178205
CID 14182086
CID 14182086
CID 19704174
CID 19704174
CID 20240509
CID 20240509
CID 21298700
CID 21298700

Frequently Asked Questions

What is the IUPAC name of N-decyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-decyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 151675650) is N-decyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-decyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-decyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is CCCCCCCCCCNc1nc(C(F)(F)F)cs1.
What is the InChIKey of N-decyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is QZLPPEKDHAIMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2S/c1-2-3-4-5-6-7-8-9-10-18-13-19-12(11-20-13)14(15,16)17/h11H,2-10H2,1H3,(H,18,19).
What are the key properties of N-decyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-decyl-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 308.41 g/mol, XLogP of 5.71, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 151675650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).