N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine

C12H16ClN5S — CID 154796220

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine
SMILESCN(Cc1nnsc1Cl)CC1CCc2nccn2C1
InChIInChI=1S/C12H16ClN5S/c1-17(8-10-12(13)19-16-15-10)6-9-2-3-11-14-4-5-18(11)7-9/h4-5,9H,2-3,6-8H2,1H3
InChIKeyGWEYEUPHLZHIDK-UHFFFAOYSA-N
MW297.82 g/mol
LogP2.08
Rot. Bonds4

About N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine

N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine (PubChem CID 154796220) has the molecular formula C12H16ClN5S and a molecular weight of 297.82 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine
PubChem CID154796220
Molecular FormulaC12H16ClN5S
Molecular Weight297.82 g/mol
Exact Mass297.08
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine
SMILESCN(Cc1nnsc1Cl)CC1CCc2nccn2C1
InChIInChI=1S/C12H16ClN5S/c1-17(8-10-12(13)19-16-15-10)6-9-2-3-11-14-4-5-18(11)7-9/h4-5,9H,2-3,6-8H2,1H3
InChIKeyGWEYEUPHLZHIDK-UHFFFAOYSA-N
XLogP2.08
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.82
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
CID 129329124
[4-[[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]phenyl]methanol
CID 129343365
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine
CID 129005455
3-ethyl-N-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 129331437
(2R)-1-[methyl-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]butan-2-ol
CID 129343684
N-methyl-N-(quinolin-2-ylmethyl)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine
CID 128996110
2-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 129005216
2-cyclopropyl-N-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
CID 129338507
N,6-dimethyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
CID 129334696
1-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-3-phenylpropan-2-ol
CID 128968625
(1R)-1-(4-fluorophenyl)-2-[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethanol
CID 129342919
5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiadiazole
CID 86774655

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine (CID 154796220) is N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine is CN(Cc1nnsc1Cl)CC1CCc2nccn2C1.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine?
The InChIKey is GWEYEUPHLZHIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5S/c1-17(8-10-12(13)19-16-15-10)6-9-2-3-11-14-4-5-18(11)7-9/h4-5,9H,2-3,6-8H2,1H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine has a molecular weight of 297.82 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine is sourced from PubChem (CID 154796220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).