N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide

C16H13FN4OS — CID 122263051

IUPACN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCc1cc(-c2ccc(F)cc2)ncn1
InChIInChI=1S/C16H13FN4OS/c1-10-15(23-9-21-10)16(22)18-7-13-6-14(20-8-19-13)11-2-4-12(17)5-3-11/h2-6,8-9H,7H2,1H3,(H,18,22)
InChIKeyJIDISIGFAVOGOJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.98
Rot. Bonds4

About N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 122263051) has the molecular formula C16H13FN4OS and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID122263051
Molecular FormulaC16H13FN4OS
Molecular Weight328.37 g/mol
Exact Mass328.08
IUPAC NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCc1cc(-c2ccc(F)cc2)ncn1
InChIInChI=1S/C16H13FN4OS/c1-10-15(23-9-21-10)16(22)18-7-13-6-14(20-8-19-13)11-2-4-12(17)5-3-11/h2-6,8-9H,7H2,1H3,(H,18,22)
InChIKeyJIDISIGFAVOGOJ-UHFFFAOYSA-N
XLogP2.98
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 122263051) is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCc1cc(-c2ccc(F)cc2)ncn1.
What is the InChIKey of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JIDISIGFAVOGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4OS/c1-10-15(23-9-21-10)16(22)18-7-13-6-14(20-8-19-13)11-2-4-12(17)5-3-11/h2-6,8-9H,7H2,1H3,(H,18,22).
What are the key properties of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122263051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).