N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

C15H21N3O3S — CID 111479234

IUPACN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCC(C)(O)c1cc(C)oc1C
InChIInChI=1S/C15H21N3O3S/c1-8-6-11(10(3)21-8)15(4,20)7-17-13(19)12-9(2)18-22-14(12)16-5/h6,16,20H,7H2,1-5H3,(H,17,19)
InChIKeyRDRSQGJNKJXARV-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.34
Rot. Bonds5

About N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (PubChem CID 111479234) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
PubChem CID111479234
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCC(C)(O)c1cc(C)oc1C
InChIInChI=1S/C15H21N3O3S/c1-8-6-11(10(3)21-8)15(4,20)7-17-13(19)12-9(2)18-22-14(12)16-5/h6,16,20H,7H2,1-5H3,(H,17,19)
InChIKeyRDRSQGJNKJXARV-UHFFFAOYSA-N
XLogP2.34
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (CID 111479234) is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)NCC(C)(O)c1cc(C)oc1C.
What is the InChIKey of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is RDRSQGJNKJXARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-8-6-11(10(3)21-8)15(4,20)7-17-13(19)12-9(2)18-22-14(12)16-5/h6,16,20H,7H2,1-5H3,(H,17,19).
What are the key properties of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 111479234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).