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

C21H21N3O4S — CID 23144216

IUPACN-[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOC1CCC(C(=O)c2sc(NC(=O)c3ccncc3)nc2-c2ccco2)CC1
InChIInChI=1S/C21H21N3O4S/c1-27-15-6-4-13(5-7-15)18(25)19-17(16-3-2-12-28-16)23-21(29-19)24-20(26)14-8-10-22-11-9-14/h2-3,8-13,15H,4-7H2,1H3,(H,23,24,26)
InChIKeyGJIJNOBBRQSFNX-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.44
Rot. Bonds6

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

N-[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 23144216) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID23144216
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN-[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOC1CCC(C(=O)c2sc(NC(=O)c3ccncc3)nc2-c2ccco2)CC1
InChIInChI=1S/C21H21N3O4S/c1-27-15-6-4-13(5-7-15)18(25)19-17(16-3-2-12-28-16)23-21(29-19)24-20(26)14-8-10-22-11-9-14/h2-3,8-13,15H,4-7H2,1H3,(H,23,24,26)
InChIKeyGJIJNOBBRQSFNX-UHFFFAOYSA-N
XLogP4.44
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 23144216) is N-[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is COC1CCC(C(=O)c2sc(NC(=O)c3ccncc3)nc2-c2ccco2)CC1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is GJIJNOBBRQSFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-27-15-6-4-13(5-7-15)18(25)19-17(16-3-2-12-28-16)23-21(29-19)24-20(26)14-8-10-22-11-9-14/h2-3,8-13,15H,4-7H2,1H3,(H,23,24,26).
What are the key properties of N-[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 23144216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).