4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide

C11H15N3OS2 — CID 107161029

IUPAC4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide
SMILESCC1(C(N)=S)CCN(C(=O)c2cscn2)CC1
InChIInChI=1S/C11H15N3OS2/c1-11(10(12)16)2-4-14(5-3-11)9(15)8-6-17-7-13-8/h6-7H,2-5H2,1H3,(H2,12,16)
InChIKeyCJRLZWGBHWDQBS-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.67
Rot. Bonds2

About 4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide

4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide (PubChem CID 107161029) has the molecular formula C11H15N3OS2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide.

Molecular Properties

Compound Name4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide
PubChem CID107161029
Molecular FormulaC11H15N3OS2
Molecular Weight269.39 g/mol
Exact Mass269.07
IUPAC Name4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide
SMILESCC1(C(N)=S)CCN(C(=O)c2cscn2)CC1
InChIInChI=1S/C11H15N3OS2/c1-11(10(12)16)2-4-14(5-3-11)9(15)8-6-17-7-13-8/h6-7H,2-5H2,1H3,(H2,12,16)
InChIKeyCJRLZWGBHWDQBS-UHFFFAOYSA-N
XLogP1.67
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.67
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

1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107160880
4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 63125222
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
3-methyl-8-(1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 95811403
1-methyl-1'-(1,3-thiazole-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97386070
ethyl 4-(1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
CID 55143433
2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]pentanethioamide
CID 63343943
1-benzoyl-4-methylpiperidine-4-carbothioamide
CID 107160872
(2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 102737670
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63037207
4-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97450871
(3,5-dimethylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038082

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide?
The IUPAC name of 4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide (CID 107161029) is 4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide.
What is the SMILES notation for 4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide?
The canonical SMILES for 4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide is CC1(C(N)=S)CCN(C(=O)c2cscn2)CC1.
What is the InChIKey of 4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide?
The InChIKey is CJRLZWGBHWDQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS2/c1-11(10(12)16)2-4-14(5-3-11)9(15)8-6-17-7-13-8/h6-7H,2-5H2,1H3,(H2,12,16).
What are the key properties of 4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide?
4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide has a molecular weight of 269.39 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide is sourced from PubChem (CID 107161029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).