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

C19H13N5O3S — CID 87275513

IUPACN-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2nc(-c3ccco3)c(C(=O)c3ccccn3)s2)cn1
InChIInChI=1S/C19H13N5O3S/c1-11-21-9-12(10-22-11)18(26)24-19-23-15(14-6-4-8-27-14)17(28-19)16(25)13-5-2-3-7-20-13/h2-10H,1H3,(H,23,24,26)
InChIKeyGVFDJKUCFZDJPG-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.38
Rot. Bonds5

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

N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide (PubChem CID 87275513) has the molecular formula C19H13N5O3S and a molecular weight of 391.41 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide
PubChem CID87275513
Molecular FormulaC19H13N5O3S
Molecular Weight391.41 g/mol
Exact Mass391.07
IUPAC NameN-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2nc(-c3ccco3)c(C(=O)c3ccccn3)s2)cn1
InChIInChI=1S/C19H13N5O3S/c1-11-21-9-12(10-22-11)18(26)24-19-23-15(14-6-4-8-27-14)17(28-19)16(25)13-5-2-3-7-20-13/h2-10H,1H3,(H,23,24,26)
InChIKeyGVFDJKUCFZDJPG-UHFFFAOYSA-N
XLogP3.38
TPSA110.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.38
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-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide (CID 87275513) is N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2nc(-c3ccco3)c(C(=O)c3ccccn3)s2)cn1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is GVFDJKUCFZDJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O3S/c1-11-21-9-12(10-22-11)18(26)24-19-23-15(14-6-4-8-27-14)17(28-19)16(25)13-5-2-3-7-20-13/h2-10H,1H3,(H,23,24,26).
What are the key properties of N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide?
N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 391.41 g/mol, XLogP of 3.38, 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-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 87275513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).