1-morpholin-4-yl-3-(thieno[3,2-c]pyridin-4-ylamino)propan-1-one

C14H17N3O2S — CID 115585976

IUPAC1-morpholin-4-yl-3-(thieno[3,2-c]pyridin-4-ylamino)propan-1-one
SMILESO=C(CCNc1nccc2sccc12)N1CCOCC1
InChIInChI=1S/C14H17N3O2S/c18-13(17-6-8-19-9-7-17)2-5-16-14-11-3-10-20-12(11)1-4-15-14/h1,3-4,10H,2,5-9H2,(H,15,16)
InChIKeyPIMQKYBTTYCCFT-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.96
Rot. Bonds4

About 1-morpholin-4-yl-3-(thieno[3,2-c]pyridin-4-ylamino)propan-1-one

1-morpholin-4-yl-3-(thieno[3,2-c]pyridin-4-ylamino)propan-1-one (PubChem CID 115585976) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(thieno[3,2-c]pyridin-4-ylamino)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(thieno[3,2-c]pyridin-4-ylamino)propan-1-one
PubChem CID115585976
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-morpholin-4-yl-3-(thieno[3,2-c]pyridin-4-ylamino)propan-1-one
SMILESO=C(CCNc1nccc2sccc12)N1CCOCC1
InChIInChI=1S/C14H17N3O2S/c18-13(17-6-8-19-9-7-17)2-5-16-14-11-3-10-20-12(11)1-4-15-14/h1,3-4,10H,2,5-9H2,(H,15,16)
InChIKeyPIMQKYBTTYCCFT-UHFFFAOYSA-N
XLogP1.96
TPSA54.46 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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(thieno[3,2-c]pyridin-4-ylamino)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-(thieno[3,2-c]pyridin-4-ylamino)propan-1-one (CID 115585976) is 1-morpholin-4-yl-3-(thieno[3,2-c]pyridin-4-ylamino)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-(thieno[3,2-c]pyridin-4-ylamino)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-(thieno[3,2-c]pyridin-4-ylamino)propan-1-one is O=C(CCNc1nccc2sccc12)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(thieno[3,2-c]pyridin-4-ylamino)propan-1-one?
The InChIKey is PIMQKYBTTYCCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-13(17-6-8-19-9-7-17)2-5-16-14-11-3-10-20-12(11)1-4-15-14/h1,3-4,10H,2,5-9H2,(H,15,16).
What are the key properties of 1-morpholin-4-yl-3-(thieno[3,2-c]pyridin-4-ylamino)propan-1-one?
1-morpholin-4-yl-3-(thieno[3,2-c]pyridin-4-ylamino)propan-1-one has a molecular weight of 291.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(thieno[3,2-c]pyridin-4-ylamino)propan-1-one is sourced from PubChem (CID 115585976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).