N-[5-[4-[(1S)-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide

C16H19N7OS2 — CID 130384524

IUPACN-[5-[4-[(1S)-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(N2CCN([C@@H](C)c3nc4ncccc4s3)CC2)s1
InChIInChI=1S/C16H19N7OS2/c1-10(14-19-13-12(25-14)4-3-5-17-13)22-6-8-23(9-7-22)16-21-20-15(26-16)18-11(2)24/h3-5,10H,6-9H2,1-2H3,(H,18,20,24)/t10-/m0/s1
InChIKeyGOMNRUZWNKVYBU-JTQLQIEISA-N
MW389.51 g/mol
LogP2.38
Rot. Bonds4

About N-[5-[4-[(1S)-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[4-[(1S)-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 130384524) has the molecular formula C16H19N7OS2 and a molecular weight of 389.51 g/mol. Its IUPAC name is N-[5-[4-[(1S)-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-[(1S)-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID130384524
Molecular FormulaC16H19N7OS2
Molecular Weight389.51 g/mol
Exact Mass389.11
IUPAC NameN-[5-[4-[(1S)-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(N2CCN([C@@H](C)c3nc4ncccc4s3)CC2)s1
InChIInChI=1S/C16H19N7OS2/c1-10(14-19-13-12(25-14)4-3-5-17-13)22-6-8-23(9-7-22)16-21-20-15(26-16)18-11(2)24/h3-5,10H,6-9H2,1-2H3,(H,18,20,24)/t10-/m0/s1
InChIKeyGOMNRUZWNKVYBU-JTQLQIEISA-N
XLogP2.38
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(1S)-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[4-[(1S)-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide (CID 130384524) is N-[5-[4-[(1S)-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[4-[(1S)-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[4-[(1S)-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(N2CCN([C@@H](C)c3nc4ncccc4s3)CC2)s1.
What is the InChIKey of N-[5-[4-[(1S)-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is GOMNRUZWNKVYBU-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19N7OS2/c1-10(14-19-13-12(25-14)4-3-5-17-13)22-6-8-23(9-7-22)16-21-20-15(26-16)18-11(2)24/h3-5,10H,6-9H2,1-2H3,(H,18,20,24)/t10-/m0/s1.
What are the key properties of N-[5-[4-[(1S)-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[4-[(1S)-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 389.51 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(1S)-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 130384524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).