N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]furan-2-carbohydrazide

C20H21N5O3S — CID 1447359

IUPACN'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]furan-2-carbohydrazide
SMILESO=C(CN1CCN(c2nc(-c3ccccc3)cs2)CC1)NNC(=O)c1ccco1
InChIInChI=1S/C20H21N5O3S/c26-18(22-23-19(27)17-7-4-12-28-17)13-24-8-10-25(11-9-24)20-21-16(14-29-20)15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2,(H,22,26)(H,23,27)
InChIKeySDWKHNAYQQGIPF-UHFFFAOYSA-N
MW411.49 g/mol
LogP1.99
Rot. Bonds5

About N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]furan-2-carbohydrazide

N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]furan-2-carbohydrazide (PubChem CID 1447359) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]furan-2-carbohydrazide
PubChem CID1447359
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC NameN'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]furan-2-carbohydrazide
SMILESO=C(CN1CCN(c2nc(-c3ccccc3)cs2)CC1)NNC(=O)c1ccco1
InChIInChI=1S/C20H21N5O3S/c26-18(22-23-19(27)17-7-4-12-28-17)13-24-8-10-25(11-9-24)20-21-16(14-29-20)15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2,(H,22,26)(H,23,27)
InChIKeySDWKHNAYQQGIPF-UHFFFAOYSA-N
XLogP1.99
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 674790
Furan-2-carboxylic acid methyl-(4-phenyl-thiazol-2-yl)-amide
CID 861583
Furan-2-carboxylic acid [4-(4-methoxy-phenyl)-thiazol-2-yl]-methyl-amide
CID 862765
N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-furohydrazide
CID 1037907
2-[4-(2-Furoyl)piperazine-1-yl]-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5p)
CID 73443011
Furan-2-carboxylic acid (4-phenyl-thiazol-2-yl)-(tetrahydro-furan-2-ylmethyl)-amide
CID 647248
Furan-2-carboxylic acid (tetrahydro-furan-2-ylmethyl)-(4-p-tolyl-thiazol-2-yl)-amide
CID 648656
N-Furan-2-ylmethyl-N-(4-phenyl-thiazol-2-yl)-propionamide
CID 651338
N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide
CID 738234
N'-(4-phenyl-1,3-thiazol-2-yl)-2-furohydrazide
CID 827779
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-furohydrazide
CID 827780
N-Furan-2-ylmethyl-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-propionamide
CID 862712

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]furan-2-carbohydrazide (CID 1447359) is N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]furan-2-carbohydrazide is O=C(CN1CCN(c2nc(-c3ccccc3)cs2)CC1)NNC(=O)c1ccco1.
What is the InChIKey of N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]furan-2-carbohydrazide?
The InChIKey is SDWKHNAYQQGIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c26-18(22-23-19(27)17-7-4-12-28-17)13-24-8-10-25(11-9-24)20-21-16(14-29-20)15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2,(H,22,26)(H,23,27).
What are the key properties of N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]furan-2-carbohydrazide?
N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]furan-2-carbohydrazide has a molecular weight of 411.49 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 1447359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).