4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

C17H20N6OS2 — CID 71867332

IUPAC4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
SMILESCC1CN=C(N2CCN(C(=O)Nc3nc(-c4ccccc4)ns3)CC2)S1
InChIInChI=1S/C17H20N6OS2/c1-12-11-18-17(25-12)23-9-7-22(8-10-23)16(24)20-15-19-14(21-26-15)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,19,20,21,24)
InChIKeyUDERADVDOBAOPA-UHFFFAOYSA-N
MW388.52 g/mol
LogP2.85
Rot. Bonds2

About 4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide (PubChem CID 71867332) has the molecular formula C17H20N6OS2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
PubChem CID71867332
Molecular FormulaC17H20N6OS2
Molecular Weight388.52 g/mol
Exact Mass388.11
IUPAC Name4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
SMILESCC1CN=C(N2CCN(C(=O)Nc3nc(-c4ccccc4)ns3)CC2)S1
InChIInChI=1S/C17H20N6OS2/c1-12-11-18-17(25-12)23-9-7-22(8-10-23)16(24)20-15-19-14(21-26-15)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,19,20,21,24)
InChIKeyUDERADVDOBAOPA-UHFFFAOYSA-N
XLogP2.85
TPSA73.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-acetyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-piperidinecarboxamide
CID 2960085
N1-(tert-butyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 2809272
4-(3-Phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbaldehyde
CID 78225484
1-(1-Methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 48749990
4-fluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46982806
4-(cyclopropylcarbonyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 46983544
N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1,4-dicarboxamide
CID 46984995
4-(1-hydroxy-1-methylethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46990783
2-[[3-(m-Tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-(1-piperidyl)ethanone
CID 4141813
4-(3-Phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylic acid
CID 68776950
Ethyl 4-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetyl)piperazine-1-carboxylate
CID 7119251
1-(Piperidin-1-yl)-2-((3-(o-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone
CID 7119372

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide (CID 71867332) is 4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide is CC1CN=C(N2CCN(C(=O)Nc3nc(-c4ccccc4)ns3)CC2)S1.
What is the InChIKey of 4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The InChIKey is UDERADVDOBAOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS2/c1-12-11-18-17(25-12)23-9-7-22(8-10-23)16(24)20-15-19-14(21-26-15)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,19,20,21,24).
What are the key properties of 4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 71867332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).