N-(4,6-dimethyl-2-pyridinyl)-4-thieno[2,3-c]pyridin-7-ylpiperazine-1-carbothioamide

C19H21N5S2 — CID 53257125

IUPACN-(4,6-dimethyl-2-pyridinyl)-4-thieno[2,3-c]pyridin-7-ylpiperazine-1-carbothioamide
SMILESCc1cc(C)nc(NC(=S)N2CCN(c3nccc4ccsc34)CC2)c1
InChIInChI=1S/C19H21N5S2/c1-13-11-14(2)21-16(12-13)22-19(25)24-8-6-23(7-9-24)18-17-15(3-5-20-18)4-10-26-17/h3-5,10-12H,6-9H2,1-2H3,(H,21,22,25)
InChIKeyYIZSZJIWBHANCM-UHFFFAOYSA-N
MW383.55 g/mol
LogP3.83
Rot. Bonds2

About N-(4,6-dimethyl-2-pyridinyl)-4-thieno[2,3-c]pyridin-7-ylpiperazine-1-carbothioamide

N-(4,6-dimethyl-2-pyridinyl)-4-thieno[2,3-c]pyridin-7-ylpiperazine-1-carbothioamide (PubChem CID 53257125) has the molecular formula C19H21N5S2 and a molecular weight of 383.55 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-4-thieno[2,3-c]pyridin-7-ylpiperazine-1-carbothioamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-4-thieno[2,3-c]pyridin-7-ylpiperazine-1-carbothioamide
PubChem CID53257125
Molecular FormulaC19H21N5S2
Molecular Weight383.55 g/mol
Exact Mass383.12
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-4-thieno[2,3-c]pyridin-7-ylpiperazine-1-carbothioamide
SMILESCc1cc(C)nc(NC(=S)N2CCN(c3nccc4ccsc34)CC2)c1
InChIInChI=1S/C19H21N5S2/c1-13-11-14(2)21-16(12-13)22-19(25)24-8-6-23(7-9-24)18-17-15(3-5-20-18)4-10-26-17/h3-5,10-12H,6-9H2,1-2H3,(H,21,22,25)
InChIKeyYIZSZJIWBHANCM-UHFFFAOYSA-N
XLogP3.83
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4,6-dimethyl-2-pyridinyl)-4-thieno[2,3-c]pyridin-7-ylpiperazine-1-carbothioamide with MolForge

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Related Compounds

4-(Piperazin-1-yl)thieno[3,2-c]pyridine
CID 10966027
(3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine
CID 972880
S-21007
CID 9863146
5-methyl-N-[4-(2-thienyl)-1,3-thiazol-2-yl]-2-pyridinamine
CID 972421
N-(4-methylpyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine
CID 704452
N-(4-(pyridin-3-yl)thiazol-2-yl)pyridin-2-amine
CID 704624
N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]-6-(Thiophen-3-Yl)pyrimidine-2,4-Diamine
CID 124220259
3-[6-(1,4-Diazepan-1-yl)-2-pyridinyl]-5-(6-methylpyrazin-2-yl)-[1,2]thiazolo[5,4-c]pyridine
CID 137648580
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-2-amine
CID 164616904
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-2-amine
CID 164624174
N-(pyridin-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 944383
6-methyl-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 972876

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-4-thieno[2,3-c]pyridin-7-ylpiperazine-1-carbothioamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-4-thieno[2,3-c]pyridin-7-ylpiperazine-1-carbothioamide (CID 53257125) is N-(4,6-dimethyl-2-pyridinyl)-4-thieno[2,3-c]pyridin-7-ylpiperazine-1-carbothioamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-4-thieno[2,3-c]pyridin-7-ylpiperazine-1-carbothioamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-4-thieno[2,3-c]pyridin-7-ylpiperazine-1-carbothioamide is Cc1cc(C)nc(NC(=S)N2CCN(c3nccc4ccsc34)CC2)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-4-thieno[2,3-c]pyridin-7-ylpiperazine-1-carbothioamide?
The InChIKey is YIZSZJIWBHANCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5S2/c1-13-11-14(2)21-16(12-13)22-19(25)24-8-6-23(7-9-24)18-17-15(3-5-20-18)4-10-26-17/h3-5,10-12H,6-9H2,1-2H3,(H,21,22,25).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-4-thieno[2,3-c]pyridin-7-ylpiperazine-1-carbothioamide?
N-(4,6-dimethyl-2-pyridinyl)-4-thieno[2,3-c]pyridin-7-ylpiperazine-1-carbothioamide has a molecular weight of 383.55 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-4-thieno[2,3-c]pyridin-7-ylpiperazine-1-carbothioamide is sourced from PubChem (CID 53257125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).