N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide

C19H22N6OS2 — CID 653565

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCCc1nnc(NC(=O)CN2CCN(c3nc(-c4ccccc4)cs3)CC2)s1
InChIInChI=1S/C19H22N6OS2/c1-2-17-22-23-18(28-17)21-16(26)12-24-8-10-25(11-9-24)19-20-15(13-27-19)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,21,23,26)
InChIKeyYPCCHYCMMPOISV-UHFFFAOYSA-N
MW414.56 g/mol
LogP2.98
Rot. Bonds6

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 653565) has the molecular formula C19H22N6OS2 and a molecular weight of 414.56 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
PubChem CID653565
Molecular FormulaC19H22N6OS2
Molecular Weight414.56 g/mol
Exact Mass414.13
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCCc1nnc(NC(=O)CN2CCN(c3nc(-c4ccccc4)cs3)CC2)s1
InChIInChI=1S/C19H22N6OS2/c1-2-17-22-23-18(28-17)21-16(26)12-24-8-10-25(11-9-24)19-20-15(13-27-19)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,21,23,26)
InChIKeyYPCCHYCMMPOISV-UHFFFAOYSA-N
XLogP2.98
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

VU0240551
CID 7211972
(2S)-2-[(1-methylpiperidin-2-yl)formamido]-8-oxo-N-(4-phenyl-1,3-thiazol-2-yl)nonanamide
CID 16036765
2-Morpholino-N-(4-phenylthiazol-2-yl)acetamide
CID 783107
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 861927
3-(4-Phenyl-1,3-thiazol-2-yl)-2-thioxo-4-imidazolidinone
CID 899465
4-methyl-N-[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidin-1-yl]ethyl]piperazine-1-carboxamide
CID 137642813
N-Benzyl-N'-(4-phenyl-thiazol-2-yl)-oxalamide
CID 1830730
2-Morpholino-N-(4-(p-tolyl)thiazol-2-yl)acetamide
CID 2336901
[(2S,4S)-4-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 67506840
(2S)-N-[5-[2-(methylamino)-4-pyridinyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 69641837
N-(4-Phenylthiazol-2-yl)-2-(piperidin-1-yl)acetamide
CID 2336975
1-(4-Benzyl-piperazin-1-yl)-2-(5-phenyl-thiazolo[2,3-c][1,2,4]triazol-3-ylsulfanyl)-ethanone
CID 645655

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide (CID 653565) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide is CCc1nnc(NC(=O)CN2CCN(c3nc(-c4ccccc4)cs3)CC2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is YPCCHYCMMPOISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS2/c1-2-17-22-23-18(28-17)21-16(26)12-24-8-10-25(11-9-24)19-20-15(13-27-19)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,21,23,26).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 414.56 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 653565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).