2-chloro-5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-4-methyl-1,3-thiazole

C13H16ClN3O2S2 — CID 61041259

IUPAC2-chloro-5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-4-methyl-1,3-thiazole
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCn2c(C)ccc2C1C
InChIInChI=1S/C13H16ClN3O2S2/c1-8-4-5-11-10(3)17(7-6-16(8)11)21(18,19)12-9(2)15-13(14)20-12/h4-5,10H,6-7H2,1-3H3
InChIKeyRRNCBPOCDGFGCE-UHFFFAOYSA-N
MW345.88 g/mol
LogP2.98
Rot. Bonds2

About 2-chloro-5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-4-methyl-1,3-thiazole

2-chloro-5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-4-methyl-1,3-thiazole (PubChem CID 61041259) has the molecular formula C13H16ClN3O2S2 and a molecular weight of 345.88 g/mol. Its IUPAC name is 2-chloro-5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-4-methyl-1,3-thiazole
PubChem CID61041259
Molecular FormulaC13H16ClN3O2S2
Molecular Weight345.88 g/mol
Exact Mass345.04
IUPAC Name2-chloro-5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-4-methyl-1,3-thiazole
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCn2c(C)ccc2C1C
InChIInChI=1S/C13H16ClN3O2S2/c1-8-4-5-11-10(3)17(7-6-16(8)11)21(18,19)12-9(2)15-13(14)20-12/h4-5,10H,6-7H2,1-3H3
InChIKeyRRNCBPOCDGFGCE-UHFFFAOYSA-N
XLogP2.98
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-4-methyl-1,3-thiazole (CID 61041259) is 2-chloro-5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-4-methyl-1,3-thiazole is Cc1nc(Cl)sc1S(=O)(=O)N1CCn2c(C)ccc2C1C.
What is the InChIKey of 2-chloro-5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-4-methyl-1,3-thiazole?
The InChIKey is RRNCBPOCDGFGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S2/c1-8-4-5-11-10(3)17(7-6-16(8)11)21(18,19)12-9(2)15-13(14)20-12/h4-5,10H,6-7H2,1-3H3.
What are the key properties of 2-chloro-5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-4-methyl-1,3-thiazole?
2-chloro-5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-4-methyl-1,3-thiazole has a molecular weight of 345.88 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 61041259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).