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

C20H20N4O4S — CID 143901525

IUPACN-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2nc(-c3ccco3)c(C(=O)CC3CCOCC3)s2)cn1
InChIInChI=1S/C20H20N4O4S/c1-12-21-10-14(11-22-12)19(26)24-20-23-17(16-3-2-6-28-16)18(29-20)15(25)9-13-4-7-27-8-5-13/h2-3,6,10-11,13H,4-5,7-9H2,1H3,(H,23,24,26)
InChIKeyYBYRVSAMBZBRBN-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.75
Rot. Bonds6

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

N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide (PubChem CID 143901525) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide
PubChem CID143901525
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2nc(-c3ccco3)c(C(=O)CC3CCOCC3)s2)cn1
InChIInChI=1S/C20H20N4O4S/c1-12-21-10-14(11-22-12)19(26)24-20-23-17(16-3-2-6-28-16)18(29-20)15(25)9-13-4-7-27-8-5-13/h2-3,6,10-11,13H,4-5,7-9H2,1H3,(H,23,24,26)
InChIKeyYBYRVSAMBZBRBN-UHFFFAOYSA-N
XLogP3.75
TPSA107.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.75
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-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide (CID 143901525) is N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2nc(-c3ccco3)c(C(=O)CC3CCOCC3)s2)cn1.
What is the InChIKey of N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is YBYRVSAMBZBRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-12-21-10-14(11-22-12)19(26)24-20-23-17(16-3-2-6-28-16)18(29-20)15(25)9-13-4-7-27-8-5-13/h2-3,6,10-11,13H,4-5,7-9H2,1H3,(H,23,24,26).
What are the key properties of N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide?
N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 3.75, 6 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-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 143901525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).