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

C18H17N3O3S — CID 23144127

IUPACN-[5-(2,2-dimethylpropanoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCC(C)(C)C(=O)c1sc(NC(=O)c2ccncc2)nc1-c1ccco1
InChIInChI=1S/C18H17N3O3S/c1-18(2,3)15(22)14-13(12-5-4-10-24-12)20-17(25-14)21-16(23)11-6-8-19-9-7-11/h4-10H,1-3H3,(H,20,21,23)
InChIKeyQUQDSUHHNSNZPP-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.28
Rot. Bonds4

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

N-[5-(2,2-dimethylpropanoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 23144127) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[5-(2,2-dimethylpropanoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2,2-dimethylpropanoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID23144127
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[5-(2,2-dimethylpropanoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCC(C)(C)C(=O)c1sc(NC(=O)c2ccncc2)nc1-c1ccco1
InChIInChI=1S/C18H17N3O3S/c1-18(2,3)15(22)14-13(12-5-4-10-24-12)20-17(25-14)21-16(23)11-6-8-19-9-7-11/h4-10H,1-3H3,(H,20,21,23)
InChIKeyQUQDSUHHNSNZPP-UHFFFAOYSA-N
XLogP4.28
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-dimethylpropanoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[5-(2,2-dimethylpropanoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 23144127) is N-[5-(2,2-dimethylpropanoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(2,2-dimethylpropanoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-(2,2-dimethylpropanoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is CC(C)(C)C(=O)c1sc(NC(=O)c2ccncc2)nc1-c1ccco1.
What is the InChIKey of N-[5-(2,2-dimethylpropanoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is QUQDSUHHNSNZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-18(2,3)15(22)14-13(12-5-4-10-24-12)20-17(25-14)21-16(23)11-6-8-19-9-7-11/h4-10H,1-3H3,(H,20,21,23).
What are the key properties of N-[5-(2,2-dimethylpropanoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[5-(2,2-dimethylpropanoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-dimethylpropanoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 23144127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).