2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbohydrazide

C13H17N5OS2 — CID 12064073

IUPAC2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbohydrazide
SMILESCSc1nc(N2CCCCC2)c2cc(C(=O)NN)sc2n1
InChIInChI=1S/C13H17N5OS2/c1-20-13-15-10(18-5-3-2-4-6-18)8-7-9(11(19)17-14)21-12(8)16-13/h7H,2-6,14H2,1H3,(H,17,19)
InChIKeyKUYBAHCRXRKJJT-UHFFFAOYSA-N
MW323.45 g/mol
LogP2.01
Rot. Bonds3

About 2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbohydrazide

2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbohydrazide (PubChem CID 12064073) has the molecular formula C13H17N5OS2 and a molecular weight of 323.45 g/mol. Its IUPAC name is 2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbohydrazide.

Molecular Properties

Compound Name2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbohydrazide
PubChem CID12064073
Molecular FormulaC13H17N5OS2
Molecular Weight323.45 g/mol
Exact Mass323.09
IUPAC Name2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbohydrazide
SMILESCSc1nc(N2CCCCC2)c2cc(C(=O)NN)sc2n1
InChIInChI=1S/C13H17N5OS2/c1-20-13-15-10(18-5-3-2-4-6-18)8-7-9(11(19)17-14)21-12(8)16-13/h7H,2-6,14H2,1H3,(H,17,19)
InChIKeyKUYBAHCRXRKJJT-UHFFFAOYSA-N
XLogP2.01
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.45
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 8707416
N-(4-ethoxyphenyl)-2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 8707434
2-ethylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 99987768
2-methylsulfanyl-4-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidine
CID 24885305
3,5-dimethyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]benzamide
CID 16901677
N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide
CID 16901648
[4-(azepan-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol
CID 28905065
N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
CID 16901656
4-methyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]benzamide
CID 16901676
N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide
CID 16901625
2-ethoxy-N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
CID 16901522
3-bromo-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]benzamide
CID 16901702

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbohydrazide?
The IUPAC name of 2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbohydrazide (CID 12064073) is 2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbohydrazide.
What is the SMILES notation for 2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbohydrazide?
The canonical SMILES for 2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbohydrazide is CSc1nc(N2CCCCC2)c2cc(C(=O)NN)sc2n1.
What is the InChIKey of 2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbohydrazide?
The InChIKey is KUYBAHCRXRKJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS2/c1-20-13-15-10(18-5-3-2-4-6-18)8-7-9(11(19)17-14)21-12(8)16-13/h7H,2-6,14H2,1H3,(H,17,19).
What are the key properties of 2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbohydrazide?
2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbohydrazide has a molecular weight of 323.45 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbohydrazide is sourced from PubChem (CID 12064073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).