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

C16H12ClFN4O2S — CID 87440928

IUPAC[5-(4-fluoroanilino)-2-methyl-1,3-thiazol-4-yl] N-(2-chloro-4-pyridinyl)carbamate
SMILESCc1nc(OC(=O)Nc2ccnc(Cl)c2)c(Nc2ccc(F)cc2)s1
InChIInChI=1S/C16H12ClFN4O2S/c1-9-20-14(15(25-9)21-11-4-2-10(18)3-5-11)24-16(23)22-12-6-7-19-13(17)8-12/h2-8,21H,1H3,(H,19,22,23)
InChIKeySVRNDWUUKGECJU-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.99
Rot. Bonds4

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

[5-(4-fluoroanilino)-2-methyl-1,3-thiazol-4-yl] N-(2-chloro-4-pyridinyl)carbamate (PubChem CID 87440928) has the molecular formula C16H12ClFN4O2S and a molecular weight of 378.82 g/mol. Its IUPAC name is [5-(4-fluoroanilino)-2-methyl-1,3-thiazol-4-yl] N-(2-chloro-4-pyridinyl)carbamate.

Molecular Properties

Compound Name[5-(4-fluoroanilino)-2-methyl-1,3-thiazol-4-yl] N-(2-chloro-4-pyridinyl)carbamate
PubChem CID87440928
Molecular FormulaC16H12ClFN4O2S
Molecular Weight378.82 g/mol
Exact Mass378.04
IUPAC Name[5-(4-fluoroanilino)-2-methyl-1,3-thiazol-4-yl] N-(2-chloro-4-pyridinyl)carbamate
SMILESCc1nc(OC(=O)Nc2ccnc(Cl)c2)c(Nc2ccc(F)cc2)s1
InChIInChI=1S/C16H12ClFN4O2S/c1-9-20-14(15(25-9)21-11-4-2-10(18)3-5-11)24-16(23)22-12-6-7-19-13(17)8-12/h2-8,21H,1H3,(H,19,22,23)
InChIKeySVRNDWUUKGECJU-UHFFFAOYSA-N
XLogP4.99
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluoroanilino)-2-methyl-1,3-thiazol-4-yl] N-(2-chloro-4-pyridinyl)carbamate?
The IUPAC name of [5-(4-fluoroanilino)-2-methyl-1,3-thiazol-4-yl] N-(2-chloro-4-pyridinyl)carbamate (CID 87440928) is [5-(4-fluoroanilino)-2-methyl-1,3-thiazol-4-yl] N-(2-chloro-4-pyridinyl)carbamate.
What is the SMILES notation for [5-(4-fluoroanilino)-2-methyl-1,3-thiazol-4-yl] N-(2-chloro-4-pyridinyl)carbamate?
The canonical SMILES for [5-(4-fluoroanilino)-2-methyl-1,3-thiazol-4-yl] N-(2-chloro-4-pyridinyl)carbamate is Cc1nc(OC(=O)Nc2ccnc(Cl)c2)c(Nc2ccc(F)cc2)s1.
What is the InChIKey of [5-(4-fluoroanilino)-2-methyl-1,3-thiazol-4-yl] N-(2-chloro-4-pyridinyl)carbamate?
The InChIKey is SVRNDWUUKGECJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O2S/c1-9-20-14(15(25-9)21-11-4-2-10(18)3-5-11)24-16(23)22-12-6-7-19-13(17)8-12/h2-8,21H,1H3,(H,19,22,23).
What are the key properties of [5-(4-fluoroanilino)-2-methyl-1,3-thiazol-4-yl] N-(2-chloro-4-pyridinyl)carbamate?
[5-(4-fluoroanilino)-2-methyl-1,3-thiazol-4-yl] N-(2-chloro-4-pyridinyl)carbamate has a molecular weight of 378.82 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluoroanilino)-2-methyl-1,3-thiazol-4-yl] N-(2-chloro-4-pyridinyl)carbamate is sourced from PubChem (CID 87440928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).