N-cyclopropyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide

C19H18FN5OS — CID 11639559

IUPACN-cyclopropyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
SMILESO=C(NC1CC1)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1
InChIInChI=1S/C19H18FN5OS/c20-15-7-4-12(18(26)24-13-5-6-13)9-16(15)22-10-14-11-23-19(27-14)25-17-3-1-2-8-21-17/h1-4,7-9,11,13,22H,5-6,10H2,(H,24,26)(H,21,23,25)
InChIKeyCPJIMFZYHUTSJD-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.93
Rot. Bonds7

About N-cyclopropyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide

N-cyclopropyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide (PubChem CID 11639559) has the molecular formula C19H18FN5OS and a molecular weight of 383.45 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
PubChem CID11639559
Molecular FormulaC19H18FN5OS
Molecular Weight383.45 g/mol
Exact Mass383.12
IUPAC NameN-cyclopropyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
SMILESO=C(NC1CC1)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1
InChIInChI=1S/C19H18FN5OS/c20-15-7-4-12(18(26)24-13-5-6-13)9-16(15)22-10-14-11-23-19(27-14)25-17-3-1-2-8-21-17/h1-4,7-9,11,13,22H,5-6,10H2,(H,24,26)(H,21,23,25)
InChIKeyCPJIMFZYHUTSJD-UHFFFAOYSA-N
XLogP3.93
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-(4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl)-N-methylbenzamide
CID 16660135
N-(2-methyl-5-(methylcarbamoyl)phenyl)-2-(((1R)-1-methylpropyl)amino)-1,3-thiazole-5-carboxamide
CID 11427975
2-(pyridin-2-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911293
N-(2,6-dimethylphenyl)-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 21911586
[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](Pyridin-3-Yl)methanone
CID 59974568
N-(2-aminoethyl)-5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15979870
N-(2-aminoethyl)-5-[2-[[4-(4,4-difluoropiperidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980473
N-(2-aminoethyl)-5-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 57867446
(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
2-Fluoro-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]benzamide
CID 10402473

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
The IUPAC name of N-cyclopropyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide (CID 11639559) is N-cyclopropyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide is O=C(NC1CC1)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1.
What is the InChIKey of N-cyclopropyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
The InChIKey is CPJIMFZYHUTSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5OS/c20-15-7-4-12(18(26)24-13-5-6-13)9-16(15)22-10-14-11-23-19(27-14)25-17-3-1-2-8-21-17/h1-4,7-9,11,13,22H,5-6,10H2,(H,24,26)(H,21,23,25).
What are the key properties of N-cyclopropyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide?
N-cyclopropyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide has a molecular weight of 383.45 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide is sourced from PubChem (CID 11639559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).