N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

C17H14FN5O2S — CID 86832956

IUPACN-[2-[(4-fluorobenzoyl)amino]ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCNC(=O)c1csc(-c2ncccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H14FN5O2S/c18-12-4-2-11(3-5-12)15(24)21-8-9-22-16(25)13-10-26-17(23-13)14-19-6-1-7-20-14/h1-7,10H,8-9H2,(H,21,24)(H,22,25)
InChIKeySRLXQPWLPWOQMK-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.90
Rot. Bonds6

About N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 86832956) has the molecular formula C17H14FN5O2S and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorobenzoyl)amino]ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID86832956
Molecular FormulaC17H14FN5O2S
Molecular Weight371.40 g/mol
Exact Mass371.09
IUPAC NameN-[2-[(4-fluorobenzoyl)amino]ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCNC(=O)c1csc(-c2ncccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H14FN5O2S/c18-12-4-2-11(3-5-12)15(24)21-8-9-22-16(25)13-10-26-17(23-13)14-19-6-1-7-20-14/h1-7,10H,8-9H2,(H,21,24)(H,22,25)
InChIKeySRLXQPWLPWOQMK-UHFFFAOYSA-N
XLogP1.90
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846789
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 111565882
N-[2-(2-methylphenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 87031750
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24512523
2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 78854756
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46105822
N-[[2-(difluoromethoxy)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 87008423
N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55536744
2-pyrimidin-2-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 87008786
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 111120104
2-(4-fluorophenyl)-N-[(E)-pent-3-enyl]-1,3-thiazole-4-carboxamide
CID 86952853
2-[(2-fluorophenoxy)methyl]-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1,3-thiazole-4-carboxamide
CID 46106194

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (CID 86832956) is N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is O=C(NCCNC(=O)c1csc(-c2ncccn2)n1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is SRLXQPWLPWOQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2S/c18-12-4-2-11(3-5-12)15(24)21-8-9-22-16(25)13-10-26-17(23-13)14-19-6-1-7-20-14/h1-7,10H,8-9H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86832956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).