4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]-2-pyridinyl]-1,3-thiazol-2-amine

C18H19F3N4OS2 — CID 144814793

IUPAC4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCCc1nc(C)c(-c2csc(Nc3ccc(CO[C@@H](C)C(F)(F)F)cn3)n2)s1
InChIInChI=1S/C18H19F3N4OS2/c1-4-15-23-10(2)16(28-15)13-9-27-17(24-13)25-14-6-5-12(7-22-14)8-26-11(3)18(19,20)21/h5-7,9,11H,4,8H2,1-3H3,(H,22,24,25)/t11-/m0/s1
InChIKeyHRFXAOFPOKETPM-NSHDSACASA-N
MW428.51 g/mol
LogP5.74
Rot. Bonds7

About 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]-2-pyridinyl]-1,3-thiazol-2-amine

4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 144814793) has the molecular formula C18H19F3N4OS2 and a molecular weight of 428.51 g/mol. Its IUPAC name is 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID144814793
Molecular FormulaC18H19F3N4OS2
Molecular Weight428.51 g/mol
Exact Mass428.10
IUPAC Name4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCCc1nc(C)c(-c2csc(Nc3ccc(CO[C@@H](C)C(F)(F)F)cn3)n2)s1
InChIInChI=1S/C18H19F3N4OS2/c1-4-15-23-10(2)16(28-15)13-9-27-17(24-13)25-14-6-5-12(7-22-14)8-26-11(3)18(19,20)21/h5-7,9,11H,4,8H2,1-3H3,(H,22,24,25)/t11-/m0/s1
InChIKeyHRFXAOFPOKETPM-NSHDSACASA-N
XLogP5.74
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]-2-pyridinyl]-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82425564
[6-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-(trifluoromethyl)morpholin-4-yl]methanone
CID 144814898
1-[5-[2-[[5-[2-(2-fluoro-4-methylphenoxy)ethyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanol
CID 144814339
N-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 973178
N-[5-[2-(4-chloro-2-fluoroanilino)ethyl]-2-pyridinyl]-4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 130236027
N,4-bis(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 163268876
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 2958770
1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]ethanone
CID 144814251
N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82426558
4-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82433621
4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 2867228
4-(4-fluorophenyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 972745

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]-2-pyridinyl]-1,3-thiazol-2-amine (CID 144814793) is 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]-2-pyridinyl]-1,3-thiazol-2-amine is CCc1nc(C)c(-c2csc(Nc3ccc(CO[C@@H](C)C(F)(F)F)cn3)n2)s1.
What is the InChIKey of 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is HRFXAOFPOKETPM-NSHDSACASA-N. The full InChI is InChI=1S/C18H19F3N4OS2/c1-4-15-23-10(2)16(28-15)13-9-27-17(24-13)25-14-6-5-12(7-22-14)8-26-11(3)18(19,20)21/h5-7,9,11H,4,8H2,1-3H3,(H,22,24,25)/t11-/m0/s1.
What are the key properties of 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]-2-pyridinyl]-1,3-thiazol-2-amine?
4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 428.51 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 144814793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).