N-(4-carbamothioyl-1-methylpyrazol-5-yl)-1,3-thiazole-4-carboxamide

C9H9N5OS2 — CID 79500369

IUPACN-(4-carbamothioyl-1-methylpyrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCn1ncc(C(N)=S)c1NC(=O)c1cscn1
InChIInChI=1S/C9H9N5OS2/c1-14-8(5(2-12-14)7(10)16)13-9(15)6-3-17-4-11-6/h2-4H,1H3,(H2,10,16)(H,13,15)
InChIKeyHTMMVICHWMQFJE-UHFFFAOYSA-N
MW267.34 g/mol
LogP0.76
Rot. Bonds3

About N-(4-carbamothioyl-1-methylpyrazol-5-yl)-1,3-thiazole-4-carboxamide

N-(4-carbamothioyl-1-methylpyrazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 79500369) has the molecular formula C9H9N5OS2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-(4-carbamothioyl-1-methylpyrazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1-methylpyrazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID79500369
Molecular FormulaC9H9N5OS2
Molecular Weight267.34 g/mol
Exact Mass267.02
IUPAC NameN-(4-carbamothioyl-1-methylpyrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCn1ncc(C(N)=S)c1NC(=O)c1cscn1
InChIInChI=1S/C9H9N5OS2/c1-14-8(5(2-12-14)7(10)16)13-9(15)6-3-17-4-11-6/h2-4H,1H3,(H2,10,16)(H,13,15)
InChIKeyHTMMVICHWMQFJE-UHFFFAOYSA-N
XLogP0.76
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamothioyl-1-methylpyrazol-5-yl)thiophene-3-carboxamide
CID 79499113
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-5-chloro-2-fluorobenzamide
CID 79499352
N-(4-carbamothioyl-1-methylpyrazol-5-yl)pyridine-4-carboxamide
CID 79499854
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 79500593
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2,5-dichlorobenzamide
CID 79499109
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-methylfuran-2-carboxamide
CID 79499856
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-fluoropyridine-4-carboxamide
CID 79500482
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2,4-difluorobenzamide
CID 79499966
3-bromo-N-(4-carbamothioyl-1-methylpyrazol-5-yl)-4-chlorobenzamide
CID 107999079
4-bromo-N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-methylbenzamide
CID 79500058
N-(4-carbamothioyl-1-methylpyrazol-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103118045
N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 63022696

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1-methylpyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1-methylpyrazol-5-yl)-1,3-thiazole-4-carboxamide (CID 79500369) is N-(4-carbamothioyl-1-methylpyrazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1-methylpyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1-methylpyrazol-5-yl)-1,3-thiazole-4-carboxamide is Cn1ncc(C(N)=S)c1NC(=O)c1cscn1.
What is the InChIKey of N-(4-carbamothioyl-1-methylpyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is HTMMVICHWMQFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5OS2/c1-14-8(5(2-12-14)7(10)16)13-9(15)6-3-17-4-11-6/h2-4H,1H3,(H2,10,16)(H,13,15).
What are the key properties of N-(4-carbamothioyl-1-methylpyrazol-5-yl)-1,3-thiazole-4-carboxamide?
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 267.34 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1-methylpyrazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 79500369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).