(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

C14H20N4O2S — CID 114683836

IUPAC(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCc1nn(C)c2sc(C(=O)N3CCC(O)C(C)C3)c(N)c12
InChIInChI=1S/C14H20N4O2S/c1-7-6-18(5-4-9(7)19)13(20)12-11(15)10-8(2)16-17(3)14(10)21-12/h7,9,19H,4-6,15H2,1-3H3
InChIKeyDMLYTFKTMRFLSD-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.37
Rot. Bonds1

About (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 114683836) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID114683836
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCc1nn(C)c2sc(C(=O)N3CCC(O)C(C)C3)c(N)c12
InChIInChI=1S/C14H20N4O2S/c1-7-6-18(5-4-9(7)19)13(20)12-11(15)10-8(2)16-17(3)14(10)21-12/h7,9,19H,4-6,15H2,1-3H3
InChIKeyDMLYTFKTMRFLSD-UHFFFAOYSA-N
XLogP1.37
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (CID 114683836) is (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is Cc1nn(C)c2sc(C(=O)N3CCC(O)C(C)C3)c(N)c12.
What is the InChIKey of (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is DMLYTFKTMRFLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-7-6-18(5-4-9(7)19)13(20)12-11(15)10-8(2)16-17(3)14(10)21-12/h7,9,19H,4-6,15H2,1-3H3.
What are the key properties of (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 308.41 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114683836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).