5-[(cyclopropylamino)methyl]-N,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C13H20F3N3S — CID 62767508

IUPAC5-[(cyclopropylamino)methyl]-N,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(CC)CC(F)(F)F)sc1CNC1CC1
InChIInChI=1S/C13H20F3N3S/c1-3-10-11(7-17-9-5-6-9)20-12(18-10)19(4-2)8-13(14,15)16/h9,17H,3-8H2,1-2H3
InChIKeyUEUZTCPQPNPKNU-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.35
Rot. Bonds7

About 5-[(cyclopropylamino)methyl]-N,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

5-[(cyclopropylamino)methyl]-N,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62767508) has the molecular formula C13H20F3N3S and a molecular weight of 307.39 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62767508
Molecular FormulaC13H20F3N3S
Molecular Weight307.39 g/mol
Exact Mass307.13
IUPAC Name5-[(cyclopropylamino)methyl]-N,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(CC)CC(F)(F)F)sc1CNC1CC1
InChIInChI=1S/C13H20F3N3S/c1-3-10-11(7-17-9-5-6-9)20-12(18-10)19(4-2)8-13(14,15)16/h9,17H,3-8H2,1-2H3
InChIKeyUEUZTCPQPNPKNU-UHFFFAOYSA-N
XLogP3.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-[(cyclopropylamino)methyl]-4-ethyl-N-propyl-1,3-thiazol-2-amine
CID 55117506
5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766848
5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 62768575
5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
CID 115987966
5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
CID 62766659
5-(aminomethyl)-4-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768024
5-(ethylaminomethyl)-N,4-dipropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767854
N-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63940677
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428112
N-[[4-propyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364519
N-[[4-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 103476438
5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766993

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62767508) is 5-[(cyclopropylamino)methyl]-N,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCc1nc(N(CC)CC(F)(F)F)sc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is UEUZTCPQPNPKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3S/c1-3-10-11(7-17-9-5-6-9)20-12(18-10)19(4-2)8-13(14,15)16/h9,17H,3-8H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-N,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 307.39 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62767508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).