2-[[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide

C19H15ClF3N5O3S — CID 166792512

IUPAC2-[[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide
SMILESCC(C(N)=O)N(c1ccc(OC(F)(F)F)nc1)c1nc(N)c(C(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C19H15ClF3N5O3S/c1-9(17(25)30)28(12-6-7-13(26-8-12)31-19(21,22)23)18-27-16(24)15(32-18)14(29)10-2-4-11(20)5-3-10/h2-9H,24H2,1H3,(H2,25,30)
InChIKeyGXCQIBMDIKZWCU-UHFFFAOYSA-N
MW485.88 g/mol
LogP3.92
Rot. Bonds7

About 2-[[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide

2-[[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide (PubChem CID 166792512) has the molecular formula C19H15ClF3N5O3S and a molecular weight of 485.88 g/mol. Its IUPAC name is 2-[[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide.

Molecular Properties

Compound Name2-[[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide
PubChem CID166792512
Molecular FormulaC19H15ClF3N5O3S
Molecular Weight485.88 g/mol
Exact Mass485.05
IUPAC Name2-[[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide
SMILESCC(C(N)=O)N(c1ccc(OC(F)(F)F)nc1)c1nc(N)c(C(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C19H15ClF3N5O3S/c1-9(17(25)30)28(12-6-7-13(26-8-12)31-19(21,22)23)18-27-16(24)15(32-18)14(29)10-2-4-11(20)5-3-10/h2-9H,24H2,1H3,(H2,25,30)
InChIKeyGXCQIBMDIKZWCU-UHFFFAOYSA-N
XLogP3.92
TPSA124.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.88
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide?
The IUPAC name of 2-[[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide (CID 166792512) is 2-[[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide.
What is the SMILES notation for 2-[[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide?
The canonical SMILES for 2-[[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide is CC(C(N)=O)N(c1ccc(OC(F)(F)F)nc1)c1nc(N)c(C(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-[[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide?
The InChIKey is GXCQIBMDIKZWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N5O3S/c1-9(17(25)30)28(12-6-7-13(26-8-12)31-19(21,22)23)18-27-16(24)15(32-18)14(29)10-2-4-11(20)5-3-10/h2-9H,24H2,1H3,(H2,25,30).
What are the key properties of 2-[[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide?
2-[[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide has a molecular weight of 485.88 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide is sourced from PubChem (CID 166792512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).