(2R)-2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-(6-fluoro-3-pyridinyl)amino]propanamide

C18H16FN5O2S — CID 175849886

IUPAC(2R)-2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-(6-fluoro-3-pyridinyl)amino]propanamide
SMILESC[C@H](C(N)=O)N(c1ccc(F)nc1)c1nc(N)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C18H16FN5O2S/c1-10(17(21)26)24(12-7-8-13(19)22-9-12)18-23-16(20)15(27-18)14(25)11-5-3-2-4-6-11/h2-10H,20H2,1H3,(H2,21,26)/t10-/m1/s1
InChIKeyURUACJKEKBTLEI-SNVBAGLBSA-N
MW385.42 g/mol
LogP2.50
Rot. Bonds6

About (2R)-2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-(6-fluoro-3-pyridinyl)amino]propanamide

(2R)-2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-(6-fluoro-3-pyridinyl)amino]propanamide (PubChem CID 175849886) has the molecular formula C18H16FN5O2S and a molecular weight of 385.42 g/mol. Its IUPAC name is (2R)-2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-(6-fluoro-3-pyridinyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-(6-fluoro-3-pyridinyl)amino]propanamide
PubChem CID175849886
Molecular FormulaC18H16FN5O2S
Molecular Weight385.42 g/mol
Exact Mass385.10
IUPAC Name(2R)-2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-(6-fluoro-3-pyridinyl)amino]propanamide
SMILESC[C@H](C(N)=O)N(c1ccc(F)nc1)c1nc(N)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C18H16FN5O2S/c1-10(17(21)26)24(12-7-8-13(19)22-9-12)18-23-16(20)15(27-18)14(25)11-5-3-2-4-6-11/h2-10H,20H2,1H3,(H2,21,26)/t10-/m1/s1
InChIKeyURUACJKEKBTLEI-SNVBAGLBSA-N
XLogP2.50
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2R)-2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-(6-fluoro-3-pyridinyl)amino]propanamide with MolForge

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Related Compounds

2-Ethyl-9-methyl-13-[2-(1,3-thiazol-2-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470733
[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](Pyridin-3-Yl)methanone
CID 59974568
(4-Amino-2-(pyridin-3-ylamino)thiazol-5-yl)(2-fluorophenyl)methanone
CID 54581340
[4-Amino-2-(Cyclohexylamino)-1,3-Thiazol-5-Yl](Pyridin-3-Yl)methanone
CID 66553067
4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzamide
CID 71662399
[4-Amino-2-(Propan-2-Ylamino)-1,3-Thiazol-5-Yl](Pyridin-3-Yl)methanone
CID 71662400
4-fluoro-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 2660431
3-fluoro-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 3501185
2,4-difluoro-N-methyl-5-((2-(pyridin-2-ylamino)thiazol-5-ylmethyl)amino)benzamide
CID 9799758
(4-Amino-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)thiazol-5-yl)(2,6-difluorophenyl)methanone
CID 9867295
(4-Amino-2-(pyridin-3-ylamino)thiazol-5-yl)(phenyl)methanone
CID 9922224
3-Benzoylamino-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 11045566

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-(6-fluoro-3-pyridinyl)amino]propanamide?
The IUPAC name of (2R)-2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-(6-fluoro-3-pyridinyl)amino]propanamide (CID 175849886) is (2R)-2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-(6-fluoro-3-pyridinyl)amino]propanamide.
What is the SMILES notation for (2R)-2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-(6-fluoro-3-pyridinyl)amino]propanamide?
The canonical SMILES for (2R)-2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-(6-fluoro-3-pyridinyl)amino]propanamide is C[C@H](C(N)=O)N(c1ccc(F)nc1)c1nc(N)c(C(=O)c2ccccc2)s1.
What is the InChIKey of (2R)-2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-(6-fluoro-3-pyridinyl)amino]propanamide?
The InChIKey is URUACJKEKBTLEI-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H16FN5O2S/c1-10(17(21)26)24(12-7-8-13(19)22-9-12)18-23-16(20)15(27-18)14(25)11-5-3-2-4-6-11/h2-10H,20H2,1H3,(H2,21,26)/t10-/m1/s1.
What are the key properties of (2R)-2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-(6-fluoro-3-pyridinyl)amino]propanamide?
(2R)-2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-(6-fluoro-3-pyridinyl)amino]propanamide has a molecular weight of 385.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-(6-fluoro-3-pyridinyl)amino]propanamide is sourced from PubChem (CID 175849886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).