N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]prop-2-en-1-amine

C12H15F3N2S — CID 173218613

IUPACN-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]prop-2-en-1-amine
SMILESC=CCN(Cc1scnc1C(F)(F)F)CC1CC1
InChIInChI=1S/C12H15F3N2S/c1-2-5-17(6-9-3-4-9)7-10-11(12(13,14)15)16-8-18-10/h2,8-9H,1,3-7H2
InChIKeyCFWGWCKGZDLCKU-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.56
Rot. Bonds6

About N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]prop-2-en-1-amine

N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]prop-2-en-1-amine (PubChem CID 173218613) has the molecular formula C12H15F3N2S and a molecular weight of 276.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]prop-2-en-1-amine
PubChem CID173218613
Molecular FormulaC12H15F3N2S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC NameN-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]prop-2-en-1-amine
SMILESC=CCN(Cc1scnc1C(F)(F)F)CC1CC1
InChIInChI=1S/C12H15F3N2S/c1-2-5-17(6-9-3-4-9)7-10-11(12(13,14)15)16-8-18-10/h2,8-9H,1,3-7H2
InChIKeyCFWGWCKGZDLCKU-UHFFFAOYSA-N
XLogP3.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]prop-2-en-1-amine (CID 173218613) is N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]prop-2-en-1-amine is C=CCN(Cc1scnc1C(F)(F)F)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]prop-2-en-1-amine?
The InChIKey is CFWGWCKGZDLCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2S/c1-2-5-17(6-9-3-4-9)7-10-11(12(13,14)15)16-8-18-10/h2,8-9H,1,3-7H2.
What are the key properties of N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]prop-2-en-1-amine?
N-(cyclopropylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]prop-2-en-1-amine has a molecular weight of 276.33 g/mol, XLogP of 3.56, 6 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]prop-2-en-1-amine is sourced from PubChem (CID 173218613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).