N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C16H13FN4O3S2 — CID 126415474

IUPACN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1sc(NC(=O)CSc2nc(O)cc(=O)[nH]2)nc1-c1ccc(F)cc1
InChIInChI=1S/C16H13FN4O3S2/c1-8-14(9-2-4-10(17)5-3-9)21-16(26-8)20-13(24)7-25-15-18-11(22)6-12(23)19-15/h2-6H,7H2,1H3,(H,20,21,24)(H2,18,19,22,23)
InChIKeyCYLPAYRHLHAANV-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.78
Rot. Bonds5

About N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 126415474) has the molecular formula C16H13FN4O3S2 and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID126415474
Molecular FormulaC16H13FN4O3S2
Molecular Weight392.44 g/mol
Exact Mass392.04
IUPAC NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1sc(NC(=O)CSc2nc(O)cc(=O)[nH]2)nc1-c1ccc(F)cc1
InChIInChI=1S/C16H13FN4O3S2/c1-8-14(9-2-4-10(17)5-3-9)21-16(26-8)20-13(24)7-25-15-18-11(22)6-12(23)19-15/h2-6H,7H2,1H3,(H,20,21,24)(H2,18,19,22,23)
InChIKeyCYLPAYRHLHAANV-UHFFFAOYSA-N
XLogP2.78
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135476954
4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 3431018
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177617
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 46528847
3-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 19226381
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 19210425
2-cyano-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 167954925
2-(cyclopropylmethylamino)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 119681458
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 9094307
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 51092008
N-(4-ethylphenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 19644003
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 134036011

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 126415474) is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is Cc1sc(NC(=O)CSc2nc(O)cc(=O)[nH]2)nc1-c1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is CYLPAYRHLHAANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3S2/c1-8-14(9-2-4-10(17)5-3-9)21-16(26-8)20-13(24)7-25-15-18-11(22)6-12(23)19-15/h2-6H,7H2,1H3,(H,20,21,24)(H2,18,19,22,23).
What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 392.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 126415474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).