4-[(2S)-2-amino-3-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-5-yl)-1,3-thiazol-2-amine

C20H17F4N5S — CID 140541794

IUPAC4-[(2S)-2-amino-3-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-5-yl)-1,3-thiazol-2-amine
SMILESNc1nc(C[C@@H](N)Cc2ccc(C(F)(F)F)c(F)c2)c(-c2ccc3[nH]ncc3c2)s1
InChIInChI=1S/C20H17F4N5S/c21-15-6-10(1-3-14(15)20(22,23)24)5-13(25)8-17-18(30-19(26)28-17)11-2-4-16-12(7-11)9-27-29-16/h1-4,6-7,9,13H,5,8,25H2,(H2,26,28)(H,27,29)/t13-/m0/s1
InChIKeyGDUXYCGFABISMW-ZDUSSCGKSA-N
MW435.45 g/mol
LogP4.54
Rot. Bonds5

About 4-[(2S)-2-amino-3-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-5-yl)-1,3-thiazol-2-amine

4-[(2S)-2-amino-3-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 140541794) has the molecular formula C20H17F4N5S and a molecular weight of 435.45 g/mol. Its IUPAC name is 4-[(2S)-2-amino-3-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2S)-2-amino-3-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-5-yl)-1,3-thiazol-2-amine
PubChem CID140541794
Molecular FormulaC20H17F4N5S
Molecular Weight435.45 g/mol
Exact Mass435.11
IUPAC Name4-[(2S)-2-amino-3-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-5-yl)-1,3-thiazol-2-amine
SMILESNc1nc(C[C@@H](N)Cc2ccc(C(F)(F)F)c(F)c2)c(-c2ccc3[nH]ncc3c2)s1
InChIInChI=1S/C20H17F4N5S/c21-15-6-10(1-3-14(15)20(22,23)24)5-13(25)8-17-18(30-19(26)28-17)11-2-4-16-12(7-11)9-27-29-16/h1-4,6-7,9,13H,5,8,25H2,(H2,26,28)(H,27,29)/t13-/m0/s1
InChIKeyGDUXYCGFABISMW-ZDUSSCGKSA-N
XLogP4.54
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-isoquinolin-6-yl-1,3-thiazol-2-amine
CID 140541796
4-[(2S)-2-amino-3-(4-chlorophenyl)propyl]-5-(3-fluoroisoquinolin-6-yl)-1,3-thiazol-2-amine
CID 140570159
[2-[[(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-5-(1H-indazol-5-yl)-1,3-thiazol-4-yl]methanol
CID 23653695
(2S)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 11538974
(3S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1-N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 163482565
(2R)-1-(1H-indazol-5-yl)propan-2-amine
CID 146673459
3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-6-yl)-2H-1,3-thiazol-2-amine
CID 67959094
(2S)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-propan-2-ylphenyl)propane-1,2-diamine
CID 11718127
(2R)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-pyridin-4-ylpropane-1,2-diamine
CID 67091252
3-[(2R)-2-amino-3-(4-propan-2-ylphenyl)propyl]-5-(1H-indazol-5-yl)-2H-1,3,4-thiadiazol-2-amine
CID 71179060
4-(2-methylpropyl)-5-naphthalen-2-yl-1,3-thiazol-2-amine
CID 167489817
3-(2,4-dichlorophenyl)-1-N-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 67092007

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-3-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2S)-2-amino-3-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-5-yl)-1,3-thiazol-2-amine (CID 140541794) is 4-[(2S)-2-amino-3-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2S)-2-amino-3-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2S)-2-amino-3-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-5-yl)-1,3-thiazol-2-amine is Nc1nc(C[C@@H](N)Cc2ccc(C(F)(F)F)c(F)c2)c(-c2ccc3[nH]ncc3c2)s1.
What is the InChIKey of 4-[(2S)-2-amino-3-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is GDUXYCGFABISMW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H17F4N5S/c21-15-6-10(1-3-14(15)20(22,23)24)5-13(25)8-17-18(30-19(26)28-17)11-2-4-16-12(7-11)9-27-29-16/h1-4,6-7,9,13H,5,8,25H2,(H2,26,28)(H,27,29)/t13-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-3-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-5-yl)-1,3-thiazol-2-amine?
4-[(2S)-2-amino-3-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 435.45 g/mol, XLogP of 4.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-3-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 140541794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).