N-cyclohexyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

C14H17N3O2S — CID 2128204

IUPACN-cyclohexyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESO=C(COc1ncnc2sccc12)NC1CCCCC1
InChIInChI=1S/C14H17N3O2S/c18-12(17-10-4-2-1-3-5-10)8-19-13-11-6-7-20-14(11)16-9-15-13/h6-7,9-10H,1-5,8H2,(H,17,18)
InChIKeyRPSGBDZWAZLRTG-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.52
Rot. Bonds4

About N-cyclohexyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

N-cyclohexyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (PubChem CID 2128204) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-cyclohexyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
PubChem CID2128204
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-cyclohexyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESO=C(COc1ncnc2sccc12)NC1CCCCC1
InChIInChI=1S/C14H17N3O2S/c18-12(17-10-4-2-1-3-5-10)8-19-13-11-6-7-20-14(11)16-9-15-13/h6-7,9-10H,1-5,8H2,(H,17,18)
InChIKeyRPSGBDZWAZLRTG-UHFFFAOYSA-N
XLogP2.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The IUPAC name of N-cyclohexyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (CID 2128204) is N-cyclohexyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.
What is the SMILES notation for N-cyclohexyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The canonical SMILES for N-cyclohexyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is O=C(COc1ncnc2sccc12)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The InChIKey is RPSGBDZWAZLRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-12(17-10-4-2-1-3-5-10)8-19-13-11-6-7-20-14(11)16-9-15-13/h6-7,9-10H,1-5,8H2,(H,17,18).
What are the key properties of N-cyclohexyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
N-cyclohexyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide has a molecular weight of 291.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is sourced from PubChem (CID 2128204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).