5-[[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methyl]-1,3,4-thiadiazol-2-amine

C16H11ClN4OS2 — CID 91387714

IUPAC5-[[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Cc2cc3c(Oc4ccc(Cl)cc4)cncc3s2)s1
InChIInChI=1S/C16H11ClN4OS2/c17-9-1-3-10(4-2-9)22-13-7-19-8-14-12(13)5-11(23-14)6-15-20-21-16(18)24-15/h1-5,7-8H,6H2,(H2,18,21)
InChIKeyNPXGUVACHPRRSW-UHFFFAOYSA-N
MW374.88 g/mol
LogP4.77
Rot. Bonds4

About 5-[[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methyl]-1,3,4-thiadiazol-2-amine

5-[[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 91387714) has the molecular formula C16H11ClN4OS2 and a molecular weight of 374.88 g/mol. Its IUPAC name is 5-[[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID91387714
Molecular FormulaC16H11ClN4OS2
Molecular Weight374.88 g/mol
Exact Mass374.01
IUPAC Name5-[[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Cc2cc3c(Oc4ccc(Cl)cc4)cncc3s2)s1
InChIInChI=1S/C16H11ClN4OS2/c17-9-1-3-10(4-2-9)22-13-7-19-8-14-12(13)5-11(23-14)6-15-20-21-16(18)24-15/h1-5,7-8H,6H2,(H2,18,21)
InChIKeyNPXGUVACHPRRSW-UHFFFAOYSA-N
XLogP4.77
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methyl]-1,3,4-thiadiazol-2-amine (CID 91387714) is 5-[[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(Cc2cc3c(Oc4ccc(Cl)cc4)cncc3s2)s1.
What is the InChIKey of 5-[[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is NPXGUVACHPRRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4OS2/c17-9-1-3-10(4-2-9)22-13-7-19-8-14-12(13)5-11(23-14)6-15-20-21-16(18)24-15/h1-5,7-8H,6H2,(H2,18,21).
What are the key properties of 5-[[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methyl]-1,3,4-thiadiazol-2-amine?
5-[[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 374.88 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 91387714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).