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

C10H13F3N2S — CID 115699018

IUPACN-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCc1cnc(C2CC2)s1
InChIInChI=1S/C10H13F3N2S/c11-10(12,13)3-4-14-5-8-6-15-9(16-8)7-1-2-7/h6-7,14H,1-5H2
InChIKeyCLUOAFYCOICVFD-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.06
Rot. Bonds5

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

N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 115699018) has the molecular formula C10H13F3N2S and a molecular weight of 250.29 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID115699018
Molecular FormulaC10H13F3N2S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCc1cnc(C2CC2)s1
InChIInChI=1S/C10H13F3N2S/c11-10(12,13)3-4-14-5-8-6-15-9(16-8)7-1-2-7/h6-7,14H,1-5H2
InChIKeyCLUOAFYCOICVFD-UHFFFAOYSA-N
XLogP3.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.06
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-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine (CID 115699018) is N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine is FC(F)(F)CCNCc1cnc(C2CC2)s1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is CLUOAFYCOICVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2S/c11-10(12,13)3-4-14-5-8-6-15-9(16-8)7-1-2-7/h6-7,14H,1-5H2.
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine?
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 250.29 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 115699018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).