N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide

C19H18N4O4S — CID 23144793

IUPACN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)cn1
InChIInChI=1S/C19H18N4O4S/c1-11-20-9-13(10-21-11)18(25)23-19-22-15(14-3-2-6-27-14)17(28-19)16(24)12-4-7-26-8-5-12/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,22,23,25)
InChIKeyVBOITCGFSGDEBS-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.36
Rot. Bonds5

About N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide

N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide (PubChem CID 23144793) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide
PubChem CID23144793
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC NameN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)cn1
InChIInChI=1S/C19H18N4O4S/c1-11-20-9-13(10-21-11)18(25)23-19-22-15(14-3-2-6-27-14)17(28-19)16(24)12-4-7-26-8-5-12/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,22,23,25)
InChIKeyVBOITCGFSGDEBS-UHFFFAOYSA-N
XLogP3.36
TPSA107.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide (CID 23144793) is N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)cn1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is VBOITCGFSGDEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-11-20-9-13(10-21-11)18(25)23-19-22-15(14-3-2-6-27-14)17(28-19)16(24)12-4-7-26-8-5-12/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,22,23,25).
What are the key properties of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide?
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 23144793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).