N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C14H21F3N2OS — CID 116730822

IUPACN-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCOC(c1nc(C(F)(F)F)c(CNC(C)C)s1)C1CC1
InChIInChI=1S/C14H21F3N2OS/c1-4-20-11(9-5-6-9)13-19-12(14(15,16)17)10(21-13)7-18-8(2)3/h8-9,11,18H,4-7H2,1-3H3
InChIKeyJQOIAHLBXIXMHR-UHFFFAOYSA-N
MW322.40 g/mol
LogP4.15
Rot. Bonds7

About N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 116730822) has the molecular formula C14H21F3N2OS and a molecular weight of 322.40 g/mol. Its IUPAC name is N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID116730822
Molecular FormulaC14H21F3N2OS
Molecular Weight322.40 g/mol
Exact Mass322.13
IUPAC NameN-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCOC(c1nc(C(F)(F)F)c(CNC(C)C)s1)C1CC1
InChIInChI=1S/C14H21F3N2OS/c1-4-20-11(9-5-6-9)13-19-12(14(15,16)17)10(21-13)7-18-8(2)3/h8-9,11,18H,4-7H2,1-3H3
InChIKeyJQOIAHLBXIXMHR-UHFFFAOYSA-N
XLogP4.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116730811
N-[[4-tert-butyl-2-(1-ethoxyethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114363090
N-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116730560
N-[[2-[cyclohexyl(ethoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 116778062
N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774768
N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774365
N-[[2-(1-ethoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116730817
1-[2-[cyclopropyl(ethoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116730678
[2-[cyclohexyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362042
1-[4-tert-butyl-2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362453
N-[[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116730832
N-[[2-(1-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116730815

Frequently Asked Questions

What is the IUPAC name of N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 116730822) is N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CCOC(c1nc(C(F)(F)F)c(CNC(C)C)s1)C1CC1.
What is the InChIKey of N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is JQOIAHLBXIXMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2OS/c1-4-20-11(9-5-6-9)13-19-12(14(15,16)17)10(21-13)7-18-8(2)3/h8-9,11,18H,4-7H2,1-3H3.
What are the key properties of N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 322.40 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 116730822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).