4-[4-[2-(thiophene-2-carbonylamino)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide

C19H21N5O2S2 — CID 71654773

IUPAC4-[4-[2-(thiophene-2-carbonylamino)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cc2ncnc(N3CCC(CCNC(=O)c4cccs4)CC3)c2s1
InChIInChI=1S/C19H21N5O2S2/c20-17(25)15-10-13-16(28-15)18(23-11-22-13)24-7-4-12(5-8-24)3-6-21-19(26)14-2-1-9-27-14/h1-2,9-12H,3-8H2,(H2,20,25)(H,21,26)
InChIKeyCLHJWTGEHRKCOS-UHFFFAOYSA-N
MW415.54 g/mol
LogP2.89
Rot. Bonds6

About 4-[4-[2-(thiophene-2-carbonylamino)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide

4-[4-[2-(thiophene-2-carbonylamino)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 71654773) has the molecular formula C19H21N5O2S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 4-[4-[2-(thiophene-2-carbonylamino)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[4-[2-(thiophene-2-carbonylamino)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID71654773
Molecular FormulaC19H21N5O2S2
Molecular Weight415.54 g/mol
Exact Mass415.11
IUPAC Name4-[4-[2-(thiophene-2-carbonylamino)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cc2ncnc(N3CCC(CCNC(=O)c4cccs4)CC3)c2s1
InChIInChI=1S/C19H21N5O2S2/c20-17(25)15-10-13-16(28-15)18(23-11-22-13)24-7-4-12(5-8-24)3-6-21-19(26)14-2-1-9-27-14/h1-2,9-12H,3-8H2,(H2,20,25)(H,21,26)
InChIKeyCLHJWTGEHRKCOS-UHFFFAOYSA-N
XLogP2.89
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(thiophene-2-carbonylamino)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[4-[2-(thiophene-2-carbonylamino)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide (CID 71654773) is 4-[4-[2-(thiophene-2-carbonylamino)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[4-[2-(thiophene-2-carbonylamino)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[4-[2-(thiophene-2-carbonylamino)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide is NC(=O)c1cc2ncnc(N3CCC(CCNC(=O)c4cccs4)CC3)c2s1.
What is the InChIKey of 4-[4-[2-(thiophene-2-carbonylamino)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is CLHJWTGEHRKCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S2/c20-17(25)15-10-13-16(28-15)18(23-11-22-13)24-7-4-12(5-8-24)3-6-21-19(26)14-2-1-9-27-14/h1-2,9-12H,3-8H2,(H2,20,25)(H,21,26).
What are the key properties of 4-[4-[2-(thiophene-2-carbonylamino)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
4-[4-[2-(thiophene-2-carbonylamino)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(thiophene-2-carbonylamino)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71654773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).