N,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide

C24H23N5OS — CID 78847132

IUPACN,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
SMILESO=C(Nc1ccccc1)C(c1ccccc1)N1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C24H23N5OS/c30-23(27-19-9-5-2-6-10-19)21(18-7-3-1-4-8-18)28-12-14-29(15-13-28)22-20-11-16-31-24(20)26-17-25-22/h1-11,16-17,21H,12-15H2,(H,27,30)
InChIKeyOBCSBJBHTYFWKC-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.19
Rot. Bonds5

About N,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide

N,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide (PubChem CID 78847132) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is N,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
PubChem CID78847132
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC NameN,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
SMILESO=C(Nc1ccccc1)C(c1ccccc1)N1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C24H23N5OS/c30-23(27-19-9-5-2-6-10-19)21(18-7-3-1-4-8-18)28-12-14-29(15-13-28)22-20-11-16-31-24(20)26-17-25-22/h1-11,16-17,21H,12-15H2,(H,27,30)
InChIKeyOBCSBJBHTYFWKC-UHFFFAOYSA-N
XLogP4.19
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-difluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
CID 78847117
(1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol
CID 95318735
N-(3,5-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide
CID 24624070
(2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 94546891
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
CID 99619873
N-phenyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzamide
CID 78903823
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl) N-phenylcarbamate
CID 169214322
N-[(2-methylphenyl)methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
CID 86923369
N-(2-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
CID 78848777
(2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 30804983
2-amino-3-phenyl-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119842585

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
The IUPAC name of N,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide (CID 78847132) is N,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide is O=C(Nc1ccccc1)C(c1ccccc1)N1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of N,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
The InChIKey is OBCSBJBHTYFWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5OS/c30-23(27-19-9-5-2-6-10-19)21(18-7-3-1-4-8-18)28-12-14-29(15-13-28)22-20-11-16-31-24(20)26-17-25-22/h1-11,16-17,21H,12-15H2,(H,27,30).
What are the key properties of N,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
N,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide has a molecular weight of 429.55 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 78847132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).