4-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C18H17FN4O2S — CID 154567007

IUPAC4-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NCCOc1ccccc1F
InChIInChI=1S/C18H17FN4O2S/c1-2-13-15(26-18(23-13)16-20-8-5-9-21-16)17(24)22-10-11-25-14-7-4-3-6-12(14)19/h3-9H,2,10-11H2,1H3,(H,22,24)
InChIKeyNSLQHSGHICSYAI-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.11
Rot. Bonds7

About 4-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

4-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 154567007) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID154567007
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name4-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NCCOc1ccccc1F
InChIInChI=1S/C18H17FN4O2S/c1-2-13-15(26-18(23-13)16-20-8-5-9-21-16)17(24)22-10-11-25-14-7-4-3-6-12(14)19/h3-9H,2,10-11H2,1H3,(H,22,24)
InChIKeyNSLQHSGHICSYAI-UHFFFAOYSA-N
XLogP3.11
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-(2-pyridin-4-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59579983
N-[3-(diethylamino)-3-oxopropyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59580049
4-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59580001
4-ethyl-N-[2-(4-methyltriazol-1-yl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154818152
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154570205
N-[[3-(difluoromethoxy)phenyl]methyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59580040
4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154570009
1-[4-ethyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82429862
1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one
CID 170389034
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
4-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154570195
N-[2-(4-chlorophenyl)-4-methylpentyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59579978

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 154567007) is 4-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CCc1nc(-c2ncccn2)sc1C(=O)NCCOc1ccccc1F.
What is the InChIKey of 4-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is NSLQHSGHICSYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-2-13-15(26-18(23-13)16-20-8-5-9-21-16)17(24)22-10-11-25-14-7-4-3-6-12(14)19/h3-9H,2,10-11H2,1H3,(H,22,24).
What are the key properties of 4-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
4-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154567007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).