N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methylpyrazine-2-carboxamide

C12H12N4OS — CID 17456742

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2nc3c(s2)CCC3)cn1
InChIInChI=1S/C12H12N4OS/c1-7-5-14-9(6-13-7)11(17)16-12-15-8-3-2-4-10(8)18-12/h5-6H,2-4H2,1H3,(H,15,16,17)
InChIKeyNVVNUYRWLANCKH-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.98
Rot. Bonds2

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methylpyrazine-2-carboxamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methylpyrazine-2-carboxamide (PubChem CID 17456742) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methylpyrazine-2-carboxamide
PubChem CID17456742
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2nc3c(s2)CCC3)cn1
InChIInChI=1S/C12H12N4OS/c1-7-5-14-9(6-13-7)11(17)16-12-15-8-3-2-4-10(8)18-12/h5-6H,2-4H2,1H3,(H,15,16,17)
InChIKeyNVVNUYRWLANCKH-UHFFFAOYSA-N
XLogP1.98
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methylpyrazine-2-carboxamide (CID 17456742) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2nc3c(s2)CCC3)cn1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methylpyrazine-2-carboxamide?
The InChIKey is NVVNUYRWLANCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-7-5-14-9(6-13-7)11(17)16-12-15-8-3-2-4-10(8)18-12/h5-6H,2-4H2,1H3,(H,15,16,17).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methylpyrazine-2-carboxamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methylpyrazine-2-carboxamide has a molecular weight of 260.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 17456742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).