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

C19H20N4OS2 — CID 1447448

IUPACN-(furan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
SMILESS=C(NCc1ccco1)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C19H20N4OS2/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/h1-7,12,14H,8-11,13H2,(H,20,25)
InChIKeyFGCKHQLXEBICCY-UHFFFAOYSA-N
MW384.53 g/mol
LogP3.60
Rot. Bonds4

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

N-(furan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide (PubChem CID 1447448) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
PubChem CID1447448
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC NameN-(furan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
SMILESS=C(NCc1ccco1)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C19H20N4OS2/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/h1-7,12,14H,8-11,13H2,(H,20,25)
InChIKeyFGCKHQLXEBICCY-UHFFFAOYSA-N
XLogP3.60
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 53.60
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-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine
CID 2484138
N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 674790
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 733820
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-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2567479
4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 2469776
4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 2531071
1-[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144370
5-benzyl-N-(2-furylmethyl)-4-(4-methoxyphenyl)thiazol-2-amine
CID 72706882
4-{2-[(Furan-2-ylmethyl)-amino]-thiazol-4-yl}-phenol
CID 646727
Furan-2-carboxylic acid (4-phenyl-thiazol-2-yl)-(tetrahydro-furan-2-ylmethyl)-amide
CID 647248

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide (CID 1447448) is N-(furan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide?
The canonical SMILES for N-(furan-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-(furan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide?
The InChIKey is FGCKHQLXEBICCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS2/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/h1-7,12,14H,8-11,13H2,(H,20,25).
What are the key properties of N-(furan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide?
N-(furan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide has a molecular weight of 384.53 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide is sourced from PubChem (CID 1447448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).