N-[1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]thiophene-2-sulfonamide

C19H19N5O2S3 — CID 25330240

IUPACN-[1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(c2nn3cc(-c4ccccc4)nc3s2)CC1)c1cccs1
InChIInChI=1S/C19H19N5O2S3/c25-29(26,17-7-4-12-27-17)22-15-8-10-23(11-9-15)19-21-24-13-16(20-18(24)28-19)14-5-2-1-3-6-14/h1-7,12-13,15,22H,8-11H2
InChIKeyNCPOJVFTQNIISE-UHFFFAOYSA-N
MW445.60 g/mol
LogP3.47
Rot. Bonds5

About N-[1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]thiophene-2-sulfonamide

N-[1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 25330240) has the molecular formula C19H19N5O2S3 and a molecular weight of 445.60 g/mol. Its IUPAC name is N-[1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID25330240
Molecular FormulaC19H19N5O2S3
Molecular Weight445.60 g/mol
Exact Mass445.07
IUPAC NameN-[1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(c2nn3cc(-c4ccccc4)nc3s2)CC1)c1cccs1
InChIInChI=1S/C19H19N5O2S3/c25-29(26,17-7-4-12-27-17)22-15-8-10-23(11-9-15)19-21-24-13-16(20-18(24)28-19)14-5-2-1-3-6-14/h1-7,12-13,15,22H,8-11H2
InChIKeyNCPOJVFTQNIISE-UHFFFAOYSA-N
XLogP3.47
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.60
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]thiophene-2-sulfonamide (CID 25330240) is N-[1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]thiophene-2-sulfonamide is O=S(=O)(NC1CCN(c2nn3cc(-c4ccccc4)nc3s2)CC1)c1cccs1.
What is the InChIKey of N-[1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is NCPOJVFTQNIISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S3/c25-29(26,17-7-4-12-27-17)22-15-8-10-23(11-9-15)19-21-24-13-16(20-18(24)28-19)14-5-2-1-3-6-14/h1-7,12-13,15,22H,8-11H2.
What are the key properties of N-[1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 445.60 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 25330240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).