benzyl N-[5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-2-pyridinyl]carbamate

C23H18FN5O3S — CID 167523969

IUPACbenzyl N-[5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-2-pyridinyl]carbamate
SMILESNc1nc(Nc2ccc(F)cc2)sc1C(=O)c1ccc(NC(=O)OCc2ccccc2)nc1
InChIInChI=1S/C23H18FN5O3S/c24-16-7-9-17(10-8-16)27-22-29-21(25)20(33-22)19(30)15-6-11-18(26-12-15)28-23(31)32-13-14-4-2-1-3-5-14/h1-12H,13,25H2,(H,27,29)(H,26,28,31)
InChIKeyJPQFCPYKIZQBNU-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.98
Rot. Bonds7

About benzyl N-[5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-2-pyridinyl]carbamate

benzyl N-[5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-2-pyridinyl]carbamate (PubChem CID 167523969) has the molecular formula C23H18FN5O3S and a molecular weight of 463.49 g/mol. Its IUPAC name is benzyl N-[5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-2-pyridinyl]carbamate
PubChem CID167523969
Molecular FormulaC23H18FN5O3S
Molecular Weight463.49 g/mol
Exact Mass463.11
IUPAC Namebenzyl N-[5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-2-pyridinyl]carbamate
SMILESNc1nc(Nc2ccc(F)cc2)sc1C(=O)c1ccc(NC(=O)OCc2ccccc2)nc1
InChIInChI=1S/C23H18FN5O3S/c24-16-7-9-17(10-8-16)27-22-29-21(25)20(33-22)19(30)15-6-11-18(26-12-15)28-23(31)32-13-14-4-2-1-3-5-14/h1-12H,13,25H2,(H,27,29)(H,26,28,31)
InChIKeyJPQFCPYKIZQBNU-UHFFFAOYSA-N
XLogP4.98
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-2-pyridinyl]carbamate?
The IUPAC name of benzyl N-[5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-2-pyridinyl]carbamate (CID 167523969) is benzyl N-[5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-2-pyridinyl]carbamate.
What is the SMILES notation for benzyl N-[5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-2-pyridinyl]carbamate?
The canonical SMILES for benzyl N-[5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-2-pyridinyl]carbamate is Nc1nc(Nc2ccc(F)cc2)sc1C(=O)c1ccc(NC(=O)OCc2ccccc2)nc1.
What is the InChIKey of benzyl N-[5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-2-pyridinyl]carbamate?
The InChIKey is JPQFCPYKIZQBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O3S/c24-16-7-9-17(10-8-16)27-22-29-21(25)20(33-22)19(30)15-6-11-18(26-12-15)28-23(31)32-13-14-4-2-1-3-5-14/h1-12H,13,25H2,(H,27,29)(H,26,28,31).
What are the key properties of benzyl N-[5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-2-pyridinyl]carbamate?
benzyl N-[5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-2-pyridinyl]carbamate has a molecular weight of 463.49 g/mol, XLogP of 4.98, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 167523969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).