(9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-(5-methyl-1,3,4-thiadiazol-2-yl)methanone

C15H13ClN4OS — CID 129479744

IUPAC(9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-(5-methyl-1,3,4-thiadiazol-2-yl)methanone
SMILESCc1nnc(C(=O)N2CCn3c(cc4c(Cl)cccc43)C2)s1
InChIInChI=1S/C15H13ClN4OS/c1-9-17-18-14(22-9)15(21)19-5-6-20-10(8-19)7-11-12(16)3-2-4-13(11)20/h2-4,7H,5-6,8H2,1H3
InChIKeyKFKHFZFHQSUWMW-UHFFFAOYSA-N
MW332.82 g/mol
LogP3.11
Rot. Bonds1

About (9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-(5-methyl-1,3,4-thiadiazol-2-yl)methanone

(9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-(5-methyl-1,3,4-thiadiazol-2-yl)methanone (PubChem CID 129479744) has the molecular formula C15H13ClN4OS and a molecular weight of 332.82 g/mol. Its IUPAC name is (9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-(5-methyl-1,3,4-thiadiazol-2-yl)methanone.

Molecular Properties

Compound Name(9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-(5-methyl-1,3,4-thiadiazol-2-yl)methanone
PubChem CID129479744
Molecular FormulaC15H13ClN4OS
Molecular Weight332.82 g/mol
Exact Mass332.05
IUPAC Name(9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-(5-methyl-1,3,4-thiadiazol-2-yl)methanone
SMILESCc1nnc(C(=O)N2CCn3c(cc4c(Cl)cccc43)C2)s1
InChIInChI=1S/C15H13ClN4OS/c1-9-17-18-14(22-9)15(21)19-5-6-20-10(8-19)7-11-12(16)3-2-4-13(11)20/h2-4,7H,5-6,8H2,1H3
InChIKeyKFKHFZFHQSUWMW-UHFFFAOYSA-N
XLogP3.11
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 146093987
9-chloro-N-[(5R,7S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide
CID 129347179
1-(1-methylpyrazol-4-yl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one
CID 127850919
5-methyl-N-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46329835
5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46327470
N-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 46329840
(5-chloro-1,3,4-thiadiazol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 80625077
(2,3-dichlorophenyl)-[3-(5-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 66598905
N-(3-chlorophenyl)-5-[3-[(3,4-dimethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 50788329
(4-chloro-3-nitrophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 108729477
[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,5-dimethylphenyl)methanone
CID 7539555
(3-chloro-6-fluoro-1-benzothiophen-2-yl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 166335819

Frequently Asked Questions

What is the IUPAC name of (9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-(5-methyl-1,3,4-thiadiazol-2-yl)methanone?
The IUPAC name of (9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-(5-methyl-1,3,4-thiadiazol-2-yl)methanone (CID 129479744) is (9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-(5-methyl-1,3,4-thiadiazol-2-yl)methanone.
What is the SMILES notation for (9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-(5-methyl-1,3,4-thiadiazol-2-yl)methanone?
The canonical SMILES for (9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-(5-methyl-1,3,4-thiadiazol-2-yl)methanone is Cc1nnc(C(=O)N2CCn3c(cc4c(Cl)cccc43)C2)s1.
What is the InChIKey of (9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-(5-methyl-1,3,4-thiadiazol-2-yl)methanone?
The InChIKey is KFKHFZFHQSUWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4OS/c1-9-17-18-14(22-9)15(21)19-5-6-20-10(8-19)7-11-12(16)3-2-4-13(11)20/h2-4,7H,5-6,8H2,1H3.
What are the key properties of (9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-(5-methyl-1,3,4-thiadiazol-2-yl)methanone?
(9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-(5-methyl-1,3,4-thiadiazol-2-yl)methanone has a molecular weight of 332.82 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-(5-methyl-1,3,4-thiadiazol-2-yl)methanone is sourced from PubChem (CID 129479744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).