3-methyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C16H21N5OS2 — CID 127902016

IUPAC3-methyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccsc1-c1nsc(NC(=O)N2CC3CCCN3CC2C)n1
InChIInChI=1S/C16H21N5OS2/c1-10-5-7-23-13(10)14-17-15(24-19-14)18-16(22)21-9-12-4-3-6-20(12)8-11(21)2/h5,7,11-12H,3-4,6,8-9H2,1-2H3,(H,17,18,19,22)
InChIKeyLIHQLJJBCOMNQX-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.28
Rot. Bonds2

About 3-methyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

3-methyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 127902016) has the molecular formula C16H21N5OS2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 3-methyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID127902016
Molecular FormulaC16H21N5OS2
Molecular Weight363.51 g/mol
Exact Mass363.12
IUPAC Name3-methyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccsc1-c1nsc(NC(=O)N2CC3CCCN3CC2C)n1
InChIInChI=1S/C16H21N5OS2/c1-10-5-7-23-13(10)14-17-15(24-19-14)18-16(22)21-9-12-4-3-6-20(12)8-11(21)2/h5,7,11-12H,3-4,6,8-9H2,1-2H3,(H,17,18,19,22)
InChIKeyLIHQLJJBCOMNQX-UHFFFAOYSA-N
XLogP3.28
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-(3-methyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 46985863
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CID 71861540
1-[3-(3-Methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3-(2,2,2-trifluoroethyl)urea
CID 121558897
4,4-difluoro-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]azepane-1-carboxamide
CID 132396800
2-acetamido-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide
CID 75524360
1-(1-Methylpiperidin-4-yl)-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea
CID 75524377
N-(3-phenyl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 48761735
1-(3-Phenyl-1,2,4-thiadiazol-5-yl)-3-(1-thiophen-3-ylpropan-2-yl)urea
CID 48801510
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 71870648
1-(2-methylpropanoyl)-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide
CID 75449615
1-Benzyl-1-propyl-3-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)urea
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CID 86796814

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 127902016) is 3-methyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is Cc1ccsc1-c1nsc(NC(=O)N2CC3CCCN3CC2C)n1.
What is the InChIKey of 3-methyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is LIHQLJJBCOMNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS2/c1-10-5-7-23-13(10)14-17-15(24-19-14)18-16(22)21-9-12-4-3-6-20(12)8-11(21)2/h5,7,11-12H,3-4,6,8-9H2,1-2H3,(H,17,18,19,22).
What are the key properties of 3-methyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
3-methyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 127902016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).