N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine

C11H17F3N2S — CID 63226169

IUPACN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCC(C)(C)c1ncc(CNCCC(F)(F)F)s1
InChIInChI=1S/C11H17F3N2S/c1-10(2,3)9-16-7-8(17-9)6-15-5-4-11(12,13)14/h7,15H,4-6H2,1-3H3
InChIKeySNDHZSHGJOXCAX-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.48
Rot. Bonds4

About N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 63226169) has the molecular formula C11H17F3N2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID63226169
Molecular FormulaC11H17F3N2S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCC(C)(C)c1ncc(CNCCC(F)(F)F)s1
InChIInChI=1S/C11H17F3N2S/c1-10(2,3)9-16-7-8(17-9)6-15-5-4-11(12,13)14/h7,15H,4-6H2,1-3H3
InChIKeySNDHZSHGJOXCAX-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.48
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-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine (CID 63226169) is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine is CC(C)(C)c1ncc(CNCCC(F)(F)F)s1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is SNDHZSHGJOXCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2S/c1-10(2,3)9-16-7-8(17-9)6-15-5-4-11(12,13)14/h7,15H,4-6H2,1-3H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine?
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 266.33 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 63226169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).