N-(2,3-dihydro-1H-inden-5-yl)-4-thieno[3,2-d]pyrimidin-4-ylpiperazine-1-carboxamide

C20H21N5OS — CID 127371695

IUPACN-(2,3-dihydro-1H-inden-5-yl)-4-thieno[3,2-d]pyrimidin-4-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)N1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C20H21N5OS/c26-20(23-16-5-4-14-2-1-3-15(14)12-16)25-9-7-24(8-10-25)19-18-17(6-11-27-18)21-13-22-19/h4-6,11-13H,1-3,7-10H2,(H,23,26)
InChIKeyLKRIAVUXZVFNCS-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.53
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-5-yl)-4-thieno[3,2-d]pyrimidin-4-ylpiperazine-1-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-4-thieno[3,2-d]pyrimidin-4-ylpiperazine-1-carboxamide (PubChem CID 127371695) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-4-thieno[3,2-d]pyrimidin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-4-thieno[3,2-d]pyrimidin-4-ylpiperazine-1-carboxamide
PubChem CID127371695
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-4-thieno[3,2-d]pyrimidin-4-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)N1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C20H21N5OS/c26-20(23-16-5-4-14-2-1-3-15(14)12-16)25-9-7-24(8-10-25)19-18-17(6-11-27-18)21-13-22-19/h4-6,11-13H,1-3,7-10H2,(H,23,26)
InChIKeyLKRIAVUXZVFNCS-UHFFFAOYSA-N
XLogP3.53
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1H-inden-5-yl)-4-thieno[3,2-d]pyrimidin-4-ylpiperazine-1-carboxamide with MolForge

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Related Compounds

1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
CID 110873227
2-ethyl-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)butan-1-one
CID 110873231
1-adamantyl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 51301531
N-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 47130003
N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17249760
N-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide
CID 53194753
1-[(6R)-6-hydroxy-4-thieno[3,2-d]pyrimidin-4-yl-1,4-diazepan-1-yl]ethanone
CID 97129327
4,5,6,7-tetrahydro-1H-indazol-4-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 136514406
7-amino-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)heptan-1-one;dihydrochloride
CID 119884627
2-(2-methoxyethylamino)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 119884684
N-(3,4-dichlorophenyl)-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 2808491
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine
CID 24607532

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-thieno[3,2-d]pyrimidin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-thieno[3,2-d]pyrimidin-4-ylpiperazine-1-carboxamide (CID 127371695) is N-(2,3-dihydro-1H-inden-5-yl)-4-thieno[3,2-d]pyrimidin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-4-thieno[3,2-d]pyrimidin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-4-thieno[3,2-d]pyrimidin-4-ylpiperazine-1-carboxamide is O=C(Nc1ccc2c(c1)CCC2)N1CCN(c2ncnc3ccsc23)CC1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-4-thieno[3,2-d]pyrimidin-4-ylpiperazine-1-carboxamide?
The InChIKey is LKRIAVUXZVFNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c26-20(23-16-5-4-14-2-1-3-15(14)12-16)25-9-7-24(8-10-25)19-18-17(6-11-27-18)21-13-22-19/h4-6,11-13H,1-3,7-10H2,(H,23,26).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-4-thieno[3,2-d]pyrimidin-4-ylpiperazine-1-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-4-thieno[3,2-d]pyrimidin-4-ylpiperazine-1-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-4-thieno[3,2-d]pyrimidin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 127371695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).