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

C9H14N4S2 — CID 5377032

IUPAC4-methyl-N-(1,3-thiazol-2-yl)piperazine-1-carbothioamide
SMILESCN1CCN(C(=S)Nc2nccs2)CC1
InChIInChI=1S/C9H14N4S2/c1-12-3-5-13(6-4-12)9(14)11-8-10-2-7-15-8/h2,7H,3-6H2,1H3,(H,10,11,14)
InChIKeyHPTBGSHRNUCENY-UHFFFAOYSA-N
MW242.37 g/mol
LogP1.09
Rot. Bonds1

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

4-methyl-N-(1,3-thiazol-2-yl)piperazine-1-carbothioamide (PubChem CID 5377032) has the molecular formula C9H14N4S2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-methyl-N-(1,3-thiazol-2-yl)piperazine-1-carbothioamide.

Molecular Properties

Compound Name4-methyl-N-(1,3-thiazol-2-yl)piperazine-1-carbothioamide
PubChem CID5377032
Molecular FormulaC9H14N4S2
Molecular Weight242.37 g/mol
Exact Mass242.07
IUPAC Name4-methyl-N-(1,3-thiazol-2-yl)piperazine-1-carbothioamide
SMILESCN1CCN(C(=S)Nc2nccs2)CC1
InChIInChI=1S/C9H14N4S2/c1-12-3-5-13(6-4-12)9(14)11-8-10-2-7-15-8/h2,7H,3-6H2,1H3,(H,10,11,14)
InChIKeyHPTBGSHRNUCENY-UHFFFAOYSA-N
XLogP1.09
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 51.09
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

molybdenum;N-(1,3-thiazol-2-yl)carbamodithioate
CID 174708139
N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 60701896
ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate
CID 47148348
4-methyl-N-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperazine-1-carbothioamide
CID 54499776
(4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone
CID 110695913
N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 127561429
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
4-(2-acetyl-6-methyl-2,6,9-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-9-yl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 133072645
N-cyclopropyl-4-(1,3-thiazol-2-yl)piperazine-1-carbothioamide
CID 115576653
4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47193079
N,N-diethylethanamine;1,3-thiazol-2-ylcarbamodithioic acid
CID 12657202

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,3-thiazol-2-yl)piperazine-1-carbothioamide?
The IUPAC name of 4-methyl-N-(1,3-thiazol-2-yl)piperazine-1-carbothioamide (CID 5377032) is 4-methyl-N-(1,3-thiazol-2-yl)piperazine-1-carbothioamide.
What is the SMILES notation for 4-methyl-N-(1,3-thiazol-2-yl)piperazine-1-carbothioamide?
The canonical SMILES for 4-methyl-N-(1,3-thiazol-2-yl)piperazine-1-carbothioamide is CN1CCN(C(=S)Nc2nccs2)CC1.
What is the InChIKey of 4-methyl-N-(1,3-thiazol-2-yl)piperazine-1-carbothioamide?
The InChIKey is HPTBGSHRNUCENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S2/c1-12-3-5-13(6-4-12)9(14)11-8-10-2-7-15-8/h2,7H,3-6H2,1H3,(H,10,11,14).
What are the key properties of 4-methyl-N-(1,3-thiazol-2-yl)piperazine-1-carbothioamide?
4-methyl-N-(1,3-thiazol-2-yl)piperazine-1-carbothioamide has a molecular weight of 242.37 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,3-thiazol-2-yl)piperazine-1-carbothioamide is sourced from PubChem (CID 5377032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).