N-cyclopentyl-2-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide

C19H29N7OS — CID 58430551

IUPACN-cyclopentyl-2-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCn1cc(CN2CCN(c3nnc(CC(=O)NC4CCCC4)s3)CC2)cn1
InChIInChI=1S/C19H29N7OS/c1-2-26-14-15(12-20-26)13-24-7-9-25(10-8-24)19-23-22-18(28-19)11-17(27)21-16-5-3-4-6-16/h12,14,16H,2-11,13H2,1H3,(H,21,27)
InChIKeyAEHBABXXBNBNAV-UHFFFAOYSA-N
MW403.56 g/mol
LogP1.68
Rot. Bonds7

About N-cyclopentyl-2-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide

N-cyclopentyl-2-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 58430551) has the molecular formula C19H29N7OS and a molecular weight of 403.56 g/mol. Its IUPAC name is N-cyclopentyl-2-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID58430551
Molecular FormulaC19H29N7OS
Molecular Weight403.56 g/mol
Exact Mass403.22
IUPAC NameN-cyclopentyl-2-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCn1cc(CN2CCN(c3nnc(CC(=O)NC4CCCC4)s3)CC2)cn1
InChIInChI=1S/C19H29N7OS/c1-2-26-14-15(12-20-26)13-24-7-9-25(10-8-24)19-23-22-18(28-19)11-17(27)21-16-5-3-4-6-16/h12,14,16H,2-11,13H2,1H3,(H,21,27)
InChIKeyAEHBABXXBNBNAV-UHFFFAOYSA-N
XLogP1.68
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.56
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide (CID 58430551) is N-cyclopentyl-2-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide is CCn1cc(CN2CCN(c3nnc(CC(=O)NC4CCCC4)s3)CC2)cn1.
What is the InChIKey of N-cyclopentyl-2-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is AEHBABXXBNBNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7OS/c1-2-26-14-15(12-20-26)13-24-7-9-25(10-8-24)19-23-22-18(28-19)11-17(27)21-16-5-3-4-6-16/h12,14,16H,2-11,13H2,1H3,(H,21,27).
What are the key properties of N-cyclopentyl-2-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?
N-cyclopentyl-2-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 403.56 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 58430551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).