N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide

C18H24N6O2S — CID 55933196

IUPACN-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)NCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H24N6O2S/c25-16(4-7-20-17(26)15-3-1-14-27-15)19-8-9-23-10-12-24(13-11-23)18-21-5-2-6-22-18/h1-3,5-6,14H,4,7-13H2,(H,19,25)(H,20,26)
InChIKeyNYZNDWFKFHQACD-UHFFFAOYSA-N
MW388.50 g/mol
LogP0.60
Rot. Bonds8

About N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide

N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide (PubChem CID 55933196) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide
PubChem CID55933196
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC NameN-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)NCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H24N6O2S/c25-16(4-7-20-17(26)15-3-1-14-27-15)19-8-9-23-10-12-24(13-11-23)18-21-5-2-6-22-18/h1-3,5-6,14H,4,7-13H2,(H,19,25)(H,20,26)
InChIKeyNYZNDWFKFHQACD-UHFFFAOYSA-N
XLogP0.60
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55933838
N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55660267
N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 2952427
4-pyrimidin-2-yl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 110866230
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119393805
5-methyl-N-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]thiophene-2-carboxamide
CID 55933830
N-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide
CID 47037132
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
N-[3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55735754
N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide
CID 51266033
2,4-difluoro-N-[4-oxo-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]butyl]benzamide
CID 55931924
N-[2-[4-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 139793542

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide (CID 55933196) is N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide is O=C(CCNC(=O)c1cccs1)NCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide?
The InChIKey is NYZNDWFKFHQACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c25-16(4-7-20-17(26)15-3-1-14-27-15)19-8-9-23-10-12-24(13-11-23)18-21-5-2-6-22-18/h1-3,5-6,14H,4,7-13H2,(H,19,25)(H,20,26).
What are the key properties of N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide?
N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide has a molecular weight of 388.50 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 55933196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).