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

C11H16N4S2 — CID 115576653

IUPACN-cyclopropyl-4-(1,3-thiazol-2-yl)piperazine-1-carbothioamide
SMILESS=C(NC1CC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H16N4S2/c16-10(13-9-1-2-9)14-4-6-15(7-5-14)11-12-3-8-17-11/h3,8-9H,1-2,4-7H2,(H,13,16)
InChIKeyFAZPDSNRSNKITK-UHFFFAOYSA-N
MW268.41 g/mol
LogP1.30
Rot. Bonds2

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

N-cyclopropyl-4-(1,3-thiazol-2-yl)piperazine-1-carbothioamide (PubChem CID 115576653) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is N-cyclopropyl-4-(1,3-thiazol-2-yl)piperazine-1-carbothioamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(1,3-thiazol-2-yl)piperazine-1-carbothioamide
PubChem CID115576653
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC NameN-cyclopropyl-4-(1,3-thiazol-2-yl)piperazine-1-carbothioamide
SMILESS=C(NC1CC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H16N4S2/c16-10(13-9-1-2-9)14-4-6-15(7-5-14)11-12-3-8-17-11/h3,8-9H,1-2,4-7H2,(H,13,16)
InChIKeyFAZPDSNRSNKITK-UHFFFAOYSA-N
XLogP1.30
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 51.30
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

N-cyclopropyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 29439867
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea
CID 18152913
(2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 30138516
(3aR,7aS)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 138045032
1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 90597446
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-cyclohexylpiperazine-1-carbothioamide
CID 3223728
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 94031670
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclohexan-1-ol
CID 60714895
ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine
CID 91531347
N-[(3R)-2-oxoazepan-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 94030514
(1S)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 97415247

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(1,3-thiazol-2-yl)piperazine-1-carbothioamide?
The IUPAC name of N-cyclopropyl-4-(1,3-thiazol-2-yl)piperazine-1-carbothioamide (CID 115576653) is N-cyclopropyl-4-(1,3-thiazol-2-yl)piperazine-1-carbothioamide.
What is the SMILES notation for N-cyclopropyl-4-(1,3-thiazol-2-yl)piperazine-1-carbothioamide?
The canonical SMILES for N-cyclopropyl-4-(1,3-thiazol-2-yl)piperazine-1-carbothioamide is S=C(NC1CC1)N1CCN(c2nccs2)CC1.
What is the InChIKey of N-cyclopropyl-4-(1,3-thiazol-2-yl)piperazine-1-carbothioamide?
The InChIKey is FAZPDSNRSNKITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c16-10(13-9-1-2-9)14-4-6-15(7-5-14)11-12-3-8-17-11/h3,8-9H,1-2,4-7H2,(H,13,16).
What are the key properties of N-cyclopropyl-4-(1,3-thiazol-2-yl)piperazine-1-carbothioamide?
N-cyclopropyl-4-(1,3-thiazol-2-yl)piperazine-1-carbothioamide has a molecular weight of 268.41 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(1,3-thiazol-2-yl)piperazine-1-carbothioamide is sourced from PubChem (CID 115576653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).