N-pentyl-4-[(trifluoromethylamino)methyl]-1,3-thiazol-2-amine

C10H16F3N3S — CID 87536123

IUPACN-pentyl-4-[(trifluoromethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCCCCNc1nc(CNC(F)(F)F)cs1
InChIInChI=1S/C10H16F3N3S/c1-2-3-4-5-14-9-16-8(7-17-9)6-15-10(11,12)13/h7,15H,2-6H2,1H3,(H,14,16)
InChIKeyKKEYISIFATUPFU-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.35
Rot. Bonds7

About N-pentyl-4-[(trifluoromethylamino)methyl]-1,3-thiazol-2-amine

N-pentyl-4-[(trifluoromethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 87536123) has the molecular formula C10H16F3N3S and a molecular weight of 267.32 g/mol. Its IUPAC name is N-pentyl-4-[(trifluoromethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-pentyl-4-[(trifluoromethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID87536123
Molecular FormulaC10H16F3N3S
Molecular Weight267.32 g/mol
Exact Mass267.10
IUPAC NameN-pentyl-4-[(trifluoromethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCCCCNc1nc(CNC(F)(F)F)cs1
InChIInChI=1S/C10H16F3N3S/c1-2-3-4-5-14-9-16-8(7-17-9)6-15-10(11,12)13/h7,15H,2-6H2,1H3,(H,14,16)
InChIKeyKKEYISIFATUPFU-UHFFFAOYSA-N
XLogP3.35
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pentyl-4-[(trifluoromethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-pentyl-4-[(trifluoromethylamino)methyl]-1,3-thiazol-2-amine (CID 87536123) is N-pentyl-4-[(trifluoromethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-pentyl-4-[(trifluoromethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-pentyl-4-[(trifluoromethylamino)methyl]-1,3-thiazol-2-amine is CCCCCNc1nc(CNC(F)(F)F)cs1.
What is the InChIKey of N-pentyl-4-[(trifluoromethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is KKEYISIFATUPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S/c1-2-3-4-5-14-9-16-8(7-17-9)6-15-10(11,12)13/h7,15H,2-6H2,1H3,(H,14,16).
What are the key properties of N-pentyl-4-[(trifluoromethylamino)methyl]-1,3-thiazol-2-amine?
N-pentyl-4-[(trifluoromethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 267.32 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4-[(trifluoromethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 87536123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).