N-(oxolan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide

C19H24N4OS2 — CID 3223637

IUPACN-(oxolan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
SMILESS=C(NCC1CCCO1)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C19H24N4OS2/c25-18(20-13-16-7-4-12-24-16)22-8-10-23(11-9-22)19-21-17(14-26-19)15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13H2,(H,20,25)
InChIKeyACSLIDFTZZIDFE-UHFFFAOYSA-N
MW388.56 g/mol
LogP2.99
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide

N-(oxolan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide (PubChem CID 3223637) has the molecular formula C19H24N4OS2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
PubChem CID3223637
Molecular FormulaC19H24N4OS2
Molecular Weight388.56 g/mol
Exact Mass388.14
IUPAC NameN-(oxolan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
SMILESS=C(NCC1CCCO1)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C19H24N4OS2/c25-18(20-13-16-7-4-12-24-16)22-8-10-23(11-9-22)19-21-17(14-26-19)15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13H2,(H,20,25)
InChIKeyACSLIDFTZZIDFE-UHFFFAOYSA-N
XLogP2.99
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]morpholine
CID 683402
4-(4-Phenyl-1,3-thiazol-2-yl)morpholine
CID 727584
2-Morpholino-N-(4-phenylthiazol-2-yl)acetamide
CID 783107
2-Morpholino-N-(4-(p-tolyl)thiazol-2-yl)acetamide
CID 2336901
4,6-di(morpholin-4-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-1,3,5-triazin-2-amine
CID 1111827
N-(3-ethoxypropyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
CID 3223618
N-(4-Phenylthiazol-2-yl)-2-(piperidin-1-yl)acetamide
CID 2336975
Morpholin-4-yl-[4-(4-phenyl-thiazol-2-yl)-piperazin-1-yl]-methanone
CID 649570
{4-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-piperazin-1-yl}-morpholin-4-yl-methanone
CID 654461
2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 658908
4-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-piperazine-1-carbothioic acid ethylamide
CID 1438377
N-cyclohexyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 1447362

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide (CID 3223637) is N-(oxolan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide is S=C(NCC1CCCO1)N1CCN(c2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide?
The InChIKey is ACSLIDFTZZIDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS2/c25-18(20-13-16-7-4-12-24-16)22-8-10-23(11-9-22)19-21-17(14-26-19)15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13H2,(H,20,25).
What are the key properties of N-(oxolan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide?
N-(oxolan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide has a molecular weight of 388.56 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide is sourced from PubChem (CID 3223637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).