7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

C13H15N5O2S2 — CID 50982208

IUPAC7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCc1csc(SCC(=O)N2CCn3c(C(N)=O)cnc3C2)n1
InChIInChI=1S/C13H15N5O2S2/c1-8-6-21-13(16-8)22-7-11(19)17-2-3-18-9(12(14)20)4-15-10(18)5-17/h4,6H,2-3,5,7H2,1H3,(H2,14,20)
InChIKeyNMNUYVQUMKSNMZ-UHFFFAOYSA-N
MW337.43 g/mol
LogP0.88
Rot. Bonds4

About 7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 50982208) has the molecular formula C13H15N5O2S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is 7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID50982208
Molecular FormulaC13H15N5O2S2
Molecular Weight337.43 g/mol
Exact Mass337.07
IUPAC Name7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCc1csc(SCC(=O)N2CCn3c(C(N)=O)cnc3C2)n1
InChIInChI=1S/C13H15N5O2S2/c1-8-6-21-13(16-8)22-7-11(19)17-2-3-18-9(12(14)20)4-15-10(18)5-17/h4,6H,2-3,5,7H2,1H3,(H2,14,20)
InChIKeyNMNUYVQUMKSNMZ-UHFFFAOYSA-N
XLogP0.88
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (CID 50982208) is 7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is Cc1csc(SCC(=O)N2CCn3c(C(N)=O)cnc3C2)n1.
What is the InChIKey of 7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is NMNUYVQUMKSNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S2/c1-8-6-21-13(16-8)22-7-11(19)17-2-3-18-9(12(14)20)4-15-10(18)5-17/h4,6H,2-3,5,7H2,1H3,(H2,14,20).
What are the key properties of 7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 50982208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).