5-[(2-methoxyethylamino)methyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C13H22F3N3OS — CID 62768541

IUPAC5-[(2-methoxyethylamino)methyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(CC(F)(F)F)C(C)C)nc1C
InChIInChI=1S/C13H22F3N3OS/c1-9(2)19(8-13(14,15)16)12-18-10(3)11(21-12)7-17-5-6-20-4/h9,17H,5-8H2,1-4H3
InChIKeyYBYFFTZPWPQNPR-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.96
Rot. Bonds8

About 5-[(2-methoxyethylamino)methyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

5-[(2-methoxyethylamino)methyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62768541) has the molecular formula C13H22F3N3OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62768541
Molecular FormulaC13H22F3N3OS
Molecular Weight325.40 g/mol
Exact Mass325.14
IUPAC Name5-[(2-methoxyethylamino)methyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(CC(F)(F)F)C(C)C)nc1C
InChIInChI=1S/C13H22F3N3OS/c1-9(2)19(8-13(14,15)16)12-18-10(3)11(21-12)7-17-5-6-20-4/h9,17H,5-8H2,1-4H3
InChIKeyYBYFFTZPWPQNPR-UHFFFAOYSA-N
XLogP2.96
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 53551652
CID 53551652
CID 1338962
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CID 95159202
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CID 143926102
CID 143926102
CID 55117368
CID 55117368
CID 55117415
CID 55117415
CID 55117845
CID 55117845
CID 55117891
CID 55117891
CID 55117893
CID 55117893
CID 55117942
CID 55117942
CID 62766815
CID 62766815
CID 62766816
CID 62766816

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62768541) is 5-[(2-methoxyethylamino)methyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is COCCNCc1sc(N(CC(F)(F)F)C(C)C)nc1C.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is YBYFFTZPWPQNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3OS/c1-9(2)19(8-13(14,15)16)12-18-10(3)11(21-12)7-17-5-6-20-4/h9,17H,5-8H2,1-4H3.
What are the key properties of 5-[(2-methoxyethylamino)methyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 325.40 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).