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

C15H18N4S2 — CID 54455435

IUPAC4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
SMILESCN1CCN(C(=S)Nc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C15H18N4S2/c1-18-7-9-19(10-8-18)15(20)17-14-16-13(11-21-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17,20)
InChIKeyWXWMOYWDXLLTFW-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.75
Rot. Bonds2

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

4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide (PubChem CID 54455435) has the molecular formula C15H18N4S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide.

Molecular Properties

Compound Name4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
PubChem CID54455435
Molecular FormulaC15H18N4S2
Molecular Weight318.47 g/mol
Exact Mass318.10
IUPAC Name4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
SMILESCN1CCN(C(=S)Nc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C15H18N4S2/c1-18-7-9-19(10-8-18)15(20)17-14-16-13(11-21-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17,20)
InChIKeyWXWMOYWDXLLTFW-UHFFFAOYSA-N
XLogP2.75
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazine-1-carbothioamide
CID 54499776
(4-phenyl-1,3-thiazol-2-yl)thiourea
CID 799782
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
4-methyl-N-(1,3-thiazol-2-yl)piperazine-1-carbothioamide
CID 5377032
2,3,5-trifluoro-4-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 23605822
1-(4-methylpiperazin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 119040973
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-phenyl-1,3-thiazol-2-amine
CID 133371007
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-methylpiperidine-1-carbodithioate
CID 27666282
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
N-(4-ethoxyphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
CID 1447422
N-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577947
N-(4-phenyl-1,3-thiazol-2-yl)-1-prop-2-enoylazetidine-3-carboxamide
CID 170709743

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide?
The IUPAC name of 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide (CID 54455435) is 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide.
What is the SMILES notation for 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide?
The canonical SMILES for 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide is CN1CCN(C(=S)Nc2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide?
The InChIKey is WXWMOYWDXLLTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S2/c1-18-7-9-19(10-8-18)15(20)17-14-16-13(11-21-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17,20).
What are the key properties of 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide?
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide has a molecular weight of 318.47 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide is sourced from PubChem (CID 54455435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).