N,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine

C10H16F3N3S — CID 43755056

IUPACN,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCC(F)(F)F)s1
InChIInChI=1S/C10H16F3N3S/c1-3-16(4-2)9-15-6-8(17-9)5-14-7-10(11,12)13/h6,14H,3-5,7H2,1-2H3
InChIKeyCUUUCGXQAFGVID-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.64
Rot. Bonds6

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

N,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 43755056) has the molecular formula C10H16F3N3S and a molecular weight of 267.32 g/mol. Its IUPAC name is N,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID43755056
Molecular FormulaC10H16F3N3S
Molecular Weight267.32 g/mol
Exact Mass267.10
IUPAC NameN,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCC(F)(F)F)s1
InChIInChI=1S/C10H16F3N3S/c1-3-16(4-2)9-15-6-8(17-9)5-14-7-10(11,12)13/h6,14H,3-5,7H2,1-2H3
InChIKeyCUUUCGXQAFGVID-UHFFFAOYSA-N
XLogP2.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine (CID 43755056) is N,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNCC(F)(F)F)s1.
What is the InChIKey of N,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is CUUUCGXQAFGVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S/c1-3-16(4-2)9-15-6-8(17-9)5-14-7-10(11,12)13/h6,14H,3-5,7H2,1-2H3.
What are the key properties of N,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 267.32 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43755056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).