(2R)-2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-3-fluoro-4-(trifluoromethoxy)anilino]propanamide

C19H15F4N5O3S — CID 175849723

IUPAC(2R)-2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-3-fluoro-4-(trifluoromethoxy)anilino]propanamide
SMILESC[C@H](C(N)=O)N(c1ccc(OC(F)(F)F)c(F)c1)c1nc(N)c(C(=O)c2ccncc2)s1
InChIInChI=1S/C19H15F4N5O3S/c1-9(17(25)30)28(11-2-3-13(12(20)8-11)31-19(21,22)23)18-27-16(24)15(32-18)14(29)10-4-6-26-7-5-10/h2-9H,24H2,1H3,(H2,25,30)/t9-/m1/s1
InChIKeyDTSLZZSVLSYCNC-SECBINFHSA-N
MW469.42 g/mol
LogP3.40
Rot. Bonds7

About (2R)-2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-3-fluoro-4-(trifluoromethoxy)anilino]propanamide

(2R)-2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-3-fluoro-4-(trifluoromethoxy)anilino]propanamide (PubChem CID 175849723) has the molecular formula C19H15F4N5O3S and a molecular weight of 469.42 g/mol. Its IUPAC name is (2R)-2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-3-fluoro-4-(trifluoromethoxy)anilino]propanamide.

Molecular Properties

Compound Name(2R)-2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-3-fluoro-4-(trifluoromethoxy)anilino]propanamide
PubChem CID175849723
Molecular FormulaC19H15F4N5O3S
Molecular Weight469.42 g/mol
Exact Mass469.08
IUPAC Name(2R)-2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-3-fluoro-4-(trifluoromethoxy)anilino]propanamide
SMILESC[C@H](C(N)=O)N(c1ccc(OC(F)(F)F)c(F)c1)c1nc(N)c(C(=O)c2ccncc2)s1
InChIInChI=1S/C19H15F4N5O3S/c1-9(17(25)30)28(11-2-3-13(12(20)8-11)31-19(21,22)23)18-27-16(24)15(32-18)14(29)10-4-6-26-7-5-10/h2-9H,24H2,1H3,(H2,25,30)/t9-/m1/s1
InChIKeyDTSLZZSVLSYCNC-SECBINFHSA-N
XLogP3.40
TPSA124.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-3-fluoro-4-(trifluoromethoxy)anilino]propanamide?
The IUPAC name of (2R)-2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-3-fluoro-4-(trifluoromethoxy)anilino]propanamide (CID 175849723) is (2R)-2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-3-fluoro-4-(trifluoromethoxy)anilino]propanamide.
What is the SMILES notation for (2R)-2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-3-fluoro-4-(trifluoromethoxy)anilino]propanamide?
The canonical SMILES for (2R)-2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-3-fluoro-4-(trifluoromethoxy)anilino]propanamide is C[C@H](C(N)=O)N(c1ccc(OC(F)(F)F)c(F)c1)c1nc(N)c(C(=O)c2ccncc2)s1.
What is the InChIKey of (2R)-2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-3-fluoro-4-(trifluoromethoxy)anilino]propanamide?
The InChIKey is DTSLZZSVLSYCNC-SECBINFHSA-N. The full InChI is InChI=1S/C19H15F4N5O3S/c1-9(17(25)30)28(11-2-3-13(12(20)8-11)31-19(21,22)23)18-27-16(24)15(32-18)14(29)10-4-6-26-7-5-10/h2-9H,24H2,1H3,(H2,25,30)/t9-/m1/s1.
What are the key properties of (2R)-2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-3-fluoro-4-(trifluoromethoxy)anilino]propanamide?
(2R)-2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-3-fluoro-4-(trifluoromethoxy)anilino]propanamide has a molecular weight of 469.42 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-3-fluoro-4-(trifluoromethoxy)anilino]propanamide is sourced from PubChem (CID 175849723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).