(4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]carbamate

C18H14N6O2S2 — CID 118659155

IUPAC(4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]carbamate
SMILESCc1ccc(-c2cncs2)cc1-c1cnc(NC(=O)Oc2snnc2C)cn1
InChIInChI=1S/C18H14N6O2S2/c1-10-3-4-12(15-7-19-9-27-15)5-13(10)14-6-21-16(8-20-14)22-18(25)26-17-11(2)23-24-28-17/h3-9H,1-2H3,(H,21,22,25)
InChIKeyYYMCWOAYWZNGCS-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.35
Rot. Bonds4

About (4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]carbamate

(4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]carbamate (PubChem CID 118659155) has the molecular formula C18H14N6O2S2 and a molecular weight of 410.48 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]carbamate.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]carbamate
PubChem CID118659155
Molecular FormulaC18H14N6O2S2
Molecular Weight410.48 g/mol
Exact Mass410.06
IUPAC Name(4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]carbamate
SMILESCc1ccc(-c2cncs2)cc1-c1cnc(NC(=O)Oc2snnc2C)cn1
InChIInChI=1S/C18H14N6O2S2/c1-10-3-4-12(15-7-19-9-27-15)5-13(10)14-6-21-16(8-20-14)22-18(25)26-17-11(2)23-24-28-17/h3-9H,1-2H3,(H,21,22,25)
InChIKeyYYMCWOAYWZNGCS-UHFFFAOYSA-N
XLogP4.35
TPSA102.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]carbamate?
The IUPAC name of (4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]carbamate (CID 118659155) is (4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]carbamate.
What is the SMILES notation for (4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]carbamate?
The canonical SMILES for (4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]carbamate is Cc1ccc(-c2cncs2)cc1-c1cnc(NC(=O)Oc2snnc2C)cn1.
What is the InChIKey of (4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]carbamate?
The InChIKey is YYMCWOAYWZNGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2S2/c1-10-3-4-12(15-7-19-9-27-15)5-13(10)14-6-21-16(8-20-14)22-18(25)26-17-11(2)23-24-28-17/h3-9H,1-2H3,(H,21,22,25).
What are the key properties of (4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]carbamate?
(4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]carbamate has a molecular weight of 410.48 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrazin-2-yl]carbamate is sourced from PubChem (CID 118659155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).