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

C15H12N6O2S2 — CID 87441144

IUPAC[5-[(5-cyano-3-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCc1csc(NC(=O)Oc2nc(C)sc2Nc2cncc(C#N)c2)n1
InChIInChI=1S/C15H12N6O2S2/c1-8-7-24-14(18-8)21-15(22)23-12-13(25-9(2)19-12)20-11-3-10(4-16)5-17-6-11/h3,5-7,20H,1-2H3,(H,18,21,22)
InChIKeyGCFBMPMCBXSGMZ-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.84
Rot. Bonds4

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

[5-[(5-cyano-3-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate (PubChem CID 87441144) has the molecular formula C15H12N6O2S2 and a molecular weight of 372.44 g/mol. Its IUPAC name is [5-[(5-cyano-3-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Name[5-[(5-cyano-3-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate
PubChem CID87441144
Molecular FormulaC15H12N6O2S2
Molecular Weight372.44 g/mol
Exact Mass372.05
IUPAC Name[5-[(5-cyano-3-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCc1csc(NC(=O)Oc2nc(C)sc2Nc2cncc(C#N)c2)n1
InChIInChI=1S/C15H12N6O2S2/c1-8-7-24-14(18-8)21-15(22)23-12-13(25-9(2)19-12)20-11-3-10(4-16)5-17-6-11/h3,5-7,20H,1-2H3,(H,18,21,22)
InChIKeyGCFBMPMCBXSGMZ-UHFFFAOYSA-N
XLogP3.84
TPSA112.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [5-[(5-cyano-3-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of [5-[(5-cyano-3-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate (CID 87441144) is [5-[(5-cyano-3-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-[(5-cyano-3-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for [5-[(5-cyano-3-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate is Cc1csc(NC(=O)Oc2nc(C)sc2Nc2cncc(C#N)c2)n1.
What is the InChIKey of [5-[(5-cyano-3-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is GCFBMPMCBXSGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2S2/c1-8-7-24-14(18-8)21-15(22)23-12-13(25-9(2)19-12)20-11-3-10(4-16)5-17-6-11/h3,5-7,20H,1-2H3,(H,18,21,22).
What are the key properties of [5-[(5-cyano-3-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate?
[5-[(5-cyano-3-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 372.44 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-cyano-3-pyridinyl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 87441144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).