N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C11H15F3N2S — CID 173218658

IUPACN-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCN(Cc1scnc1C(F)(F)F)CC1CC1
InChIInChI=1S/C11H15F3N2S/c1-2-16(5-8-3-4-8)6-9-10(11(12,13)14)15-7-17-9/h7-8H,2-6H2,1H3
InChIKeyDNQQZUNOEBDBLT-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.39
Rot. Bonds5

About N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 173218658) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID173218658
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC NameN-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCN(Cc1scnc1C(F)(F)F)CC1CC1
InChIInChI=1S/C11H15F3N2S/c1-2-16(5-8-3-4-8)6-9-10(11(12,13)14)15-7-17-9/h7-8H,2-6H2,1H3
InChIKeyDNQQZUNOEBDBLT-UHFFFAOYSA-N
XLogP3.39
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 173218658) is N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCN(Cc1scnc1C(F)(F)F)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is DNQQZUNOEBDBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c1-2-16(5-8-3-4-8)6-9-10(11(12,13)14)15-7-17-9/h7-8H,2-6H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 264.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 173218658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).