N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide

C16H18F3N5OS — CID 2810984

IUPACN-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCN1CCN(c2nccc(C(F)(F)F)n2)CC1)c1cccs1
InChIInChI=1S/C16H18F3N5OS/c17-16(18,19)13-3-4-21-15(22-13)24-9-7-23(8-10-24)6-5-20-14(25)12-2-1-11-26-12/h1-4,11H,5-10H2,(H,20,25)
InChIKeyPHBOQQPLAUGXKM-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.11
Rot. Bonds5

About N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide

N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide (PubChem CID 2810984) has the molecular formula C16H18F3N5OS and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide
PubChem CID2810984
Molecular FormulaC16H18F3N5OS
Molecular Weight385.42 g/mol
Exact Mass385.12
IUPAC NameN-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCN1CCN(c2nccc(C(F)(F)F)n2)CC1)c1cccs1
InChIInChI=1S/C16H18F3N5OS/c17-16(18,19)13-3-4-21-15(22-13)24-9-7-23(8-10-24)6-5-20-14(25)12-2-1-11-26-12/h1-4,11H,5-10H2,(H,20,25)
InChIKeyPHBOQQPLAUGXKM-UHFFFAOYSA-N
XLogP2.11
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-((5-Iodo-4-((3-((2-thienylcarbonyl)amino)propyl)amino)-2-pyrimidinyl)amino)phenyl)-1-pyrrolidinecarboxamide
CID 10077147
N-(6-{4-[3-(trifluoromethyl)pyridin-2-yl]piperazino}pyridin-3-yl)thiophene-2-carboxamide
CID 2741895
Pyrido[2,3-d]pyrimidin-7-one deriv. 27
CID 5328640
N-[6-[[(2R)-6-amino-1-[[6-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-1-oxohexan-2-yl]amino]-6-oxohexyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide
CID 46882137
[4-(5-Bromopyrimidin-2-yl)piperazino](2-thienyl)methanone
CID 2802467
4-Pyrimidin-2-ylpiperazinyl 2-thienyl ketone
CID 727062
N-[3-[[5-cyclopropyl-2-(2-fluoroanilino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide
CID 44462961
N-[3-[[5-cyclopropyl-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide
CID 59225366
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (thiophen-2-ylmethyl)-amide
CID 645574
2-{4-[(5-Methyl-3-thienyl)carbonyl]-1-piperazinyl}pyrimidine
CID 1246450
5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 2431997
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 2434569

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide (CID 2810984) is N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide is O=C(NCCN1CCN(c2nccc(C(F)(F)F)n2)CC1)c1cccs1.
What is the InChIKey of N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is PHBOQQPLAUGXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5OS/c17-16(18,19)13-3-4-21-15(22-13)24-9-7-23(8-10-24)6-5-20-14(25)12-2-1-11-26-12/h1-4,11H,5-10H2,(H,20,25).
What are the key properties of N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide?
N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 2810984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).