N-(4-methoxyphenyl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C18H17N5OS2 — CID 3984988

IUPACN-(4-methoxyphenyl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(Nc2nnc(SCc3cn4c(C)cccc4n3)s2)cc1
InChIInChI=1S/C18H17N5OS2/c1-12-4-3-5-16-19-14(10-23(12)16)11-25-18-22-21-17(26-18)20-13-6-8-15(24-2)9-7-13/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyKFUIOSJRVWQFLO-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.54
Rot. Bonds6

About N-(4-methoxyphenyl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

N-(4-methoxyphenyl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 3984988) has the molecular formula C18H17N5OS2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID3984988
Molecular FormulaC18H17N5OS2
Molecular Weight383.50 g/mol
Exact Mass383.09
IUPAC NameN-(4-methoxyphenyl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(Nc2nnc(SCc3cn4c(C)cccc4n3)s2)cc1
InChIInChI=1S/C18H17N5OS2/c1-12-4-3-5-16-19-14(10-23(12)16)11-25-18-22-21-17(26-18)20-13-6-8-15(24-2)9-7-13/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyKFUIOSJRVWQFLO-UHFFFAOYSA-N
XLogP4.54
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 3984988) is N-(4-methoxyphenyl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is COc1ccc(Nc2nnc(SCc3cn4c(C)cccc4n3)s2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is KFUIOSJRVWQFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS2/c1-12-4-3-5-16-19-14(10-23(12)16)11-25-18-22-21-17(26-18)20-13-6-8-15(24-2)9-7-13/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of N-(4-methoxyphenyl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-(4-methoxyphenyl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 383.50 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 3984988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).