N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C14H13ClN4OS — CID 94588635

IUPACN-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(N[C@@H]3CCOc4c(Cl)cccc43)sc2n1
InChIInChI=1S/C14H13ClN4OS/c1-8-7-19-14(16-8)21-13(18-19)17-11-5-6-20-12-9(11)3-2-4-10(12)15/h2-4,7,11H,5-6H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyQMZLBLYJBJSRSX-LLVKDONJSA-N
MW320.81 g/mol
LogP3.69
Rot. Bonds2

About N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 94588635) has the molecular formula C14H13ClN4OS and a molecular weight of 320.81 g/mol. Its IUPAC name is N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID94588635
Molecular FormulaC14H13ClN4OS
Molecular Weight320.81 g/mol
Exact Mass320.05
IUPAC NameN-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(N[C@@H]3CCOc4c(Cl)cccc43)sc2n1
InChIInChI=1S/C14H13ClN4OS/c1-8-7-19-14(16-8)21-13(18-19)17-11-5-6-20-12-9(11)3-2-4-10(12)15/h2-4,7,11H,5-6H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyQMZLBLYJBJSRSX-LLVKDONJSA-N
XLogP3.69
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.81
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 97073350
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methylquinoline-4-carboxamide
CID 60571804
2-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]imidazo[5,1-b][1,3,4]thiadiazole-7-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167773576
N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 167749832
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylazetidine-3-carboxamide
CID 128874525
N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-3-(1,5-dimethylpyrazol-4-yl)propanamide
CID 124613693
N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-3-(1,5-dimethylpyrazol-4-yl)propanamide
CID 124613694
8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82461632
N-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6-(2-methylimidazol-1-yl)pyrazin-2-amine
CID 133436007
N,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 15357579
N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(methylamino)pyridine-4-carboxamide
CID 124882769
N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(ethylsulfonylamino)acetamide
CID 124588113

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 94588635) is N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1cn2nc(N[C@@H]3CCOc4c(Cl)cccc43)sc2n1.
What is the InChIKey of N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is QMZLBLYJBJSRSX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H13ClN4OS/c1-8-7-19-14(16-8)21-13(18-19)17-11-5-6-20-12-9(11)3-2-4-10(12)15/h2-4,7,11H,5-6H2,1H3,(H,17,18)/t11-/m1/s1.
What are the key properties of N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 320.81 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 94588635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).