[6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-methyl-1,3-thiazol-2-yl)carbamate

C16H15N5O2S — CID 90114025

IUPAC[6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-methyl-1,3-thiazol-2-yl)carbamate
SMILESCc1ccc(Nc2cccnc2)c(OC(=O)Nc2ncc(C)s2)n1
InChIInChI=1S/C16H15N5O2S/c1-10-5-6-13(20-12-4-3-7-17-9-12)14(19-10)23-16(22)21-15-18-8-11(2)24-15/h3-9,20H,1-2H3,(H,18,21,22)
InChIKeyAZORYHOSVLYTRJ-UHFFFAOYSA-N
MW341.40 g/mol
LogP3.90
Rot. Bonds4

About [6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-methyl-1,3-thiazol-2-yl)carbamate

[6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-methyl-1,3-thiazol-2-yl)carbamate (PubChem CID 90114025) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is [6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-methyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Name[6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-methyl-1,3-thiazol-2-yl)carbamate
PubChem CID90114025
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name[6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-methyl-1,3-thiazol-2-yl)carbamate
SMILESCc1ccc(Nc2cccnc2)c(OC(=O)Nc2ncc(C)s2)n1
InChIInChI=1S/C16H15N5O2S/c1-10-5-6-13(20-12-4-3-7-17-9-12)14(19-10)23-16(22)21-15-18-8-11(2)24-15/h3-9,20H,1-2H3,(H,18,21,22)
InChIKeyAZORYHOSVLYTRJ-UHFFFAOYSA-N
XLogP3.90
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-methyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of [6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-methyl-1,3-thiazol-2-yl)carbamate (CID 90114025) is [6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-methyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for [6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-methyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for [6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-methyl-1,3-thiazol-2-yl)carbamate is Cc1ccc(Nc2cccnc2)c(OC(=O)Nc2ncc(C)s2)n1.
What is the InChIKey of [6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-methyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is AZORYHOSVLYTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-10-5-6-13(20-12-4-3-7-17-9-12)14(19-10)23-16(22)21-15-18-8-11(2)24-15/h3-9,20H,1-2H3,(H,18,21,22).
What are the key properties of [6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-methyl-1,3-thiazol-2-yl)carbamate?
[6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-methyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 341.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-methyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 90114025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).