N-(4-pyridin-2-ylpiperazine-1-carbothioyl)furan-2-carboxamide

C15H16N4O2S — CID 753444

IUPACN-(4-pyridin-2-ylpiperazine-1-carbothioyl)furan-2-carboxamide
SMILESO=C(NC(=S)N1CCN(c2ccccn2)CC1)c1ccco1
InChIInChI=1S/C15H16N4O2S/c20-14(12-4-3-11-21-12)17-15(22)19-9-7-18(8-10-19)13-5-1-2-6-16-13/h1-6,11H,7-10H2,(H,17,20,22)
InChIKeyXUSVAKXALRJSBQ-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.51
Rot. Bonds2

About N-(4-pyridin-2-ylpiperazine-1-carbothioyl)furan-2-carboxamide

N-(4-pyridin-2-ylpiperazine-1-carbothioyl)furan-2-carboxamide (PubChem CID 753444) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(4-pyridin-2-ylpiperazine-1-carbothioyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-pyridin-2-ylpiperazine-1-carbothioyl)furan-2-carboxamide
PubChem CID753444
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-(4-pyridin-2-ylpiperazine-1-carbothioyl)furan-2-carboxamide
SMILESO=C(NC(=S)N1CCN(c2ccccn2)CC1)c1ccco1
InChIInChI=1S/C15H16N4O2S/c20-14(12-4-3-11-21-12)17-15(22)19-9-7-18(8-10-19)13-5-1-2-6-16-13/h1-6,11H,7-10H2,(H,17,20,22)
InChIKeyXUSVAKXALRJSBQ-UHFFFAOYSA-N
XLogP1.51
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-Bromopyridin-2-yl)-3-(furan-2-ylmethyl)thiourea
CID 978178
Triazine-4-carboxamide, 10
CID 44520935
Triazine-4-carboxamide, 12
CID 44520937
N-(2-furylmethyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide
CID 970504
N-(4-methyl-2-pyrimidinyl)-2-furamide
CID 974122
Furan-2-carboxylic acid (6-butyrylamino-4-methyl-pyridin-3-yl)-amide
CID 1452773
N-[5-[(2,2-dimethyl-1-oxopropyl)amino]-2-pyridinyl]-2-furancarboxamide
CID 1452801
2-[4-(2-Furylcarbonyl)piperazino]nicotinonitrile
CID 2812129
N-(2-furylmethyl)-N'-(3-methyl-2-pyridinyl)thiourea
CID 2981748
N-[6-(pentanoylamino)pyridin-3-yl]furan-2-carboxamide
CID 3213149
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 24251169
MS 28
CID 195216

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-2-ylpiperazine-1-carbothioyl)furan-2-carboxamide?
The IUPAC name of N-(4-pyridin-2-ylpiperazine-1-carbothioyl)furan-2-carboxamide (CID 753444) is N-(4-pyridin-2-ylpiperazine-1-carbothioyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-pyridin-2-ylpiperazine-1-carbothioyl)furan-2-carboxamide?
The canonical SMILES for N-(4-pyridin-2-ylpiperazine-1-carbothioyl)furan-2-carboxamide is O=C(NC(=S)N1CCN(c2ccccn2)CC1)c1ccco1.
What is the InChIKey of N-(4-pyridin-2-ylpiperazine-1-carbothioyl)furan-2-carboxamide?
The InChIKey is XUSVAKXALRJSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c20-14(12-4-3-11-21-12)17-15(22)19-9-7-18(8-10-19)13-5-1-2-6-16-13/h1-6,11H,7-10H2,(H,17,20,22).
What are the key properties of N-(4-pyridin-2-ylpiperazine-1-carbothioyl)furan-2-carboxamide?
N-(4-pyridin-2-ylpiperazine-1-carbothioyl)furan-2-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-2-ylpiperazine-1-carbothioyl)furan-2-carboxamide is sourced from PubChem (CID 753444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).