3-chloro-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,2,5-thiadiazole

C11H17ClN4S — CID 81198645

IUPAC3-chloro-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,2,5-thiadiazole
SMILESCN1CCCC2CN(c3nsnc3Cl)CCC21
InChIInChI=1S/C11H17ClN4S/c1-15-5-2-3-8-7-16(6-4-9(8)15)11-10(12)13-17-14-11/h8-9H,2-7H2,1H3
InChIKeyRPROKFJJLBGOBS-UHFFFAOYSA-N
MW272.81 g/mol
LogP2.11
Rot. Bonds1

About 3-chloro-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,2,5-thiadiazole

3-chloro-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,2,5-thiadiazole (PubChem CID 81198645) has the molecular formula C11H17ClN4S and a molecular weight of 272.81 g/mol. Its IUPAC name is 3-chloro-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,2,5-thiadiazole
PubChem CID81198645
Molecular FormulaC11H17ClN4S
Molecular Weight272.81 g/mol
Exact Mass272.09
IUPAC Name3-chloro-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,2,5-thiadiazole
SMILESCN1CCCC2CN(c3nsnc3Cl)CCC21
InChIInChI=1S/C11H17ClN4S/c1-15-5-2-3-8-7-16(6-4-9(8)15)11-10(12)13-17-14-11/h8-9H,2-7H2,1H3
InChIKeyRPROKFJJLBGOBS-UHFFFAOYSA-N
XLogP2.11
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.81
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-chloro-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,2,5-thiadiazole with MolForge

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Related Compounds

3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-chloro-1,2,5-thiadiazole
CID 43808328
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-chloro-1,2,5-thiadiazole
CID 43808329
3-Chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1,2,5-thiadiazole
CID 61244082
4-chloro-N-methyl-N-(4-methylcyclohexyl)-1,2,5-thiadiazol-3-amine
CID 61439337
4-chloro-N-methyl-N-(3-methylcyclohexyl)-1,2,5-thiadiazol-3-amine
CID 61447301
4-chloro-N-methyl-N-(2-methylcyclohexyl)-1,2,5-thiadiazol-3-amine
CID 61593692
3-Chloro-4-(2,3-dimethylpiperidin-1-yl)-1,2,5-thiadiazole
CID 62122927
3-Chloro-4-(4-propylpiperidin-1-yl)-1,2,5-thiadiazole
CID 62205456
3-Chloro-4-(2,4-dimethylpiperidin-1-yl)-1,2,5-thiadiazole
CID 62330234
3-Chloro-4-(2,5-dimethylpiperidin-1-yl)-1,2,5-thiadiazole
CID 65660812
3-(1,3,4,6,7,8,9,9a-Octahydropyrido[1,2-a]pyrazin-2-yl)-4-chloro-1,2,5-thiadiazole
CID 79925031
3-Chloro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,2,5-thiadiazole
CID 79925111

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,2,5-thiadiazole (CID 81198645) is 3-chloro-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,2,5-thiadiazole is CN1CCCC2CN(c3nsnc3Cl)CCC21.
What is the InChIKey of 3-chloro-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,2,5-thiadiazole?
The InChIKey is RPROKFJJLBGOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4S/c1-15-5-2-3-8-7-16(6-4-9(8)15)11-10(12)13-17-14-11/h8-9H,2-7H2,1H3.
What are the key properties of 3-chloro-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,2,5-thiadiazole?
3-chloro-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,2,5-thiadiazole has a molecular weight of 272.81 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 81198645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).