[5-[(4-fluoro-2-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate

C14H12FN5O2S2 — CID 87441472

IUPAC[5-[(4-fluoro-2-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCc1csc(NC(=O)Oc2nc(C)sc2Nc2cc(F)ccn2)n1
InChIInChI=1S/C14H12FN5O2S2/c1-7-6-23-13(17-7)20-14(21)22-11-12(24-8(2)18-11)19-10-5-9(15)3-4-16-10/h3-6H,1-2H3,(H,16,19)(H,17,20,21)
InChIKeyIWZDDGHQCQCECF-UHFFFAOYSA-N
MW365.42 g/mol
LogP4.11
Rot. Bonds4

About [5-[(4-fluoro-2-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate

[5-[(4-fluoro-2-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate (PubChem CID 87441472) has the molecular formula C14H12FN5O2S2 and a molecular weight of 365.42 g/mol. Its IUPAC name is [5-[(4-fluoro-2-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Name[5-[(4-fluoro-2-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate
PubChem CID87441472
Molecular FormulaC14H12FN5O2S2
Molecular Weight365.42 g/mol
Exact Mass365.04
IUPAC Name[5-[(4-fluoro-2-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCc1csc(NC(=O)Oc2nc(C)sc2Nc2cc(F)ccn2)n1
InChIInChI=1S/C14H12FN5O2S2/c1-7-6-23-13(17-7)20-14(21)22-11-12(24-8(2)18-11)19-10-5-9(15)3-4-16-10/h3-6H,1-2H3,(H,16,19)(H,17,20,21)
InChIKeyIWZDDGHQCQCECF-UHFFFAOYSA-N
XLogP4.11
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [5-[(4-fluoro-2-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluoro-2-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of [5-[(4-fluoro-2-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate (CID 87441472) is [5-[(4-fluoro-2-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for [5-[(4-fluoro-2-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for [5-[(4-fluoro-2-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate is Cc1csc(NC(=O)Oc2nc(C)sc2Nc2cc(F)ccn2)n1.
What is the InChIKey of [5-[(4-fluoro-2-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is IWZDDGHQCQCECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O2S2/c1-7-6-23-13(17-7)20-14(21)22-11-12(24-8(2)18-11)19-10-5-9(15)3-4-16-10/h3-6H,1-2H3,(H,16,19)(H,17,20,21).
What are the key properties of [5-[(4-fluoro-2-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate?
[5-[(4-fluoro-2-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 365.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluoro-2-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 87441472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).