(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

C14H20N4O2S — CID 104961435

IUPAC(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCc1nn(C)c2sc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c(N)c12
InChIInChI=1S/C14H20N4O2S/c1-7-5-18(6-8(2)20-7)13(19)12-11(15)10-9(3)16-17(4)14(10)21-12/h7-8H,5-6,15H2,1-4H3/t7-,8+
InChIKeyMWKQAHRHNLYKOY-OCAPTIKFSA-N
MW308.41 g/mol
LogP1.77
Rot. Bonds1

About (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 104961435) 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)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID104961435
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCc1nn(C)c2sc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c(N)c12
InChIInChI=1S/C14H20N4O2S/c1-7-5-18(6-8(2)20-7)13(19)12-11(15)10-9(3)16-17(4)14(10)21-12/h7-8H,5-6,15H2,1-4H3/t7-,8+
InChIKeyMWKQAHRHNLYKOY-OCAPTIKFSA-N
XLogP1.77
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79187193
(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114683836
(2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62792174
(3-aminothieno[3,2-b]pyridin-2-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104961431
(7-aminothieno[2,3-b]pyrazin-6-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104961425
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104961942
(2,6-dimethylmorpholin-4-yl)-(1,3-dimethyl-4-nitropyrazol-5-yl)methanone
CID 17020381
(4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79189036
(3-amino-5-bromo-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 114896329
(4-bromo-1,5-dimethylpyrazol-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 51389776
4-amino-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 81063841
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 27661495

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 104961435) is (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is Cc1nn(C)c2sc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c(N)c12.
What is the InChIKey of (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is MWKQAHRHNLYKOY-OCAPTIKFSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-7-5-18(6-8(2)20-7)13(19)12-11(15)10-9(3)16-17(4)14(10)21-12/h7-8H,5-6,15H2,1-4H3/t7-,8+.
What are the key properties of (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 308.41 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 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)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 104961435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).