N-methyl-5-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-1,3,4-thiadiazol-2-amine

C13H16N4S — CID 82452304

IUPACN-methyl-5-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2cc3c(nc2C)CCCC3)s1
InChIInChI=1S/C13H16N4S/c1-8-10(12-16-17-13(14-2)18-12)7-9-5-3-4-6-11(9)15-8/h7H,3-6H2,1-2H3,(H,14,17)
InChIKeySGBPJGUKVUDCGM-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.83
Rot. Bonds2

About N-methyl-5-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-1,3,4-thiadiazol-2-amine

N-methyl-5-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 82452304) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is N-methyl-5-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-1,3,4-thiadiazol-2-amine
PubChem CID82452304
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC NameN-methyl-5-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2cc3c(nc2C)CCCC3)s1
InChIInChI=1S/C13H16N4S/c1-8-10(12-16-17-13(14-2)18-12)7-9-5-3-4-6-11(9)15-8/h7H,3-6H2,1-2H3,(H,14,17)
InChIKeySGBPJGUKVUDCGM-UHFFFAOYSA-N
XLogP2.83
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-5-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

5-(6-ethyl-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1,3,4-thiadiazol-2-amine
CID 82452399
N-ethyl-4-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1,3-thiazol-2-amine
CID 82452260
N-methyl-5-(2-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 82452060
N-methyl-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)methanamine
CID 82452273
2-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)propan-2-amine
CID 82452293
2-methyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 20824284
2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde
CID 82415425
N,5-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine
CID 39359852
N-methyl-5-(2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine
CID 82447733
ethane;N-methylmethanamine;2-methyl-5,6,7,8-tetrahydroquinoline
CID 165400143
1-methyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-5,6,7,8-tetrahydroquinolin-2-one
CID 82522618
3-methyl-5,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]quinoline
CID 15105634

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-1,3,4-thiadiazol-2-amine (CID 82452304) is N-methyl-5-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-1,3,4-thiadiazol-2-amine is CNc1nnc(-c2cc3c(nc2C)CCCC3)s1.
What is the InChIKey of N-methyl-5-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is SGBPJGUKVUDCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-8-10(12-16-17-13(14-2)18-12)7-9-5-3-4-6-11(9)15-8/h7H,3-6H2,1-2H3,(H,14,17).
What are the key properties of N-methyl-5-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-1,3,4-thiadiazol-2-amine?
N-methyl-5-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 260.37 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82452304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).